(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide

C14H14ClN3O2 — CID 46890607

IUPAC(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CCNC1
InChIInChI=1S/C14H14ClN3O2/c15-11-6-10-8(2-4-17-14(10)20)5-12(11)18-13(19)9-1-3-16-7-9/h2,4-6,9,16H,1,3,7H2,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeySMXQRAQBLWKTHV-SECBINFHSA-N
MW291.74 g/mol
LogP1.73
Rot. Bonds2

About (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide

(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide (PubChem CID 46890607) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide
PubChem CID46890607
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CCNC1
InChIInChI=1S/C14H14ClN3O2/c15-11-6-10-8(2-4-17-14(10)20)5-12(11)18-13(19)9-1-3-16-7-9/h2,4-6,9,16H,1,3,7H2,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeySMXQRAQBLWKTHV-SECBINFHSA-N
XLogP1.73
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide (CID 46890607) is (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide is O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is SMXQRAQBLWKTHV-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-6-10-8(2-4-17-14(10)20)5-12(11)18-13(19)9-1-3-16-7-9/h2,4-6,9,16H,1,3,7H2,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide?
(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46890607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).