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

C14H14ClN3O2 — CID 24863971

IUPAC(2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CCCN1
InChIInChI=1S/C14H14ClN3O2/c15-10-7-9-8(3-5-17-13(9)19)6-12(10)18-14(20)11-2-1-4-16-11/h3,5-7,11,16H,1-2,4H2,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyASOKPJKABROLOA-LLVKDONJSA-N
MW291.74 g/mol
LogP1.87
Rot. Bonds2

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

(2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 24863971) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
PubChem CID24863971
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name(2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CCCN1
InChIInChI=1S/C14H14ClN3O2/c15-10-7-9-8(3-5-17-13(9)19)6-12(10)18-14(20)11-2-1-4-16-11/h3,5-7,11,16H,1-2,4H2,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyASOKPJKABROLOA-LLVKDONJSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide (CID 24863971) is (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide is O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is ASOKPJKABROLOA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-10-7-9-8(3-5-17-13(9)19)6-12(10)18-14(20)11-2-1-4-16-11/h3,5-7,11,16H,1-2,4H2,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
(2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24863971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).