Chemical identity

(S)-3-(1-aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one

CAS 1350643-72-9 · C17H15ClN2O

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13661
PubChem CID66607319
Name(S)-3-(1-aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one
CAS RN1350643-72-9
Molecular formulaC17H15ClN2O
Molecular weight298.77 g/mol
IUPAC name(S)-3-(1-aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one
InChIKeyMZINZXIFJMLTOK-NSHDSACASA-N

02Structure identifiers

2D structurePubChem CID 66607319
Two-dimensional chemical structure of (S)-3-(1-aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one, CAS 1350643-72-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)N
InChINot listed
Formula from structureC17H15ClN2O
Molecular weight from structure298.77 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1350643-72-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1350643-72-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Duvelisib

View API and impurity family

Other names

  • Duvelisib Impurity 2

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources