N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide

C19H17ClN4O2 — CID 46890050

IUPACN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C1CNCC1c1ccncc1
InChIInChI=1S/C19H17ClN4O2/c20-16-8-13-12(3-6-23-18(13)25)7-17(16)24-19(26)15-10-22-9-14(15)11-1-4-21-5-2-11/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26)
InChIKeySLRTUQXBTOKZDJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.52
Rot. Bonds3

About N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 46890050) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID46890050
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C1CNCC1c1ccncc1
InChIInChI=1S/C19H17ClN4O2/c20-16-8-13-12(3-6-23-18(13)25)7-17(16)24-19(26)15-10-22-9-14(15)11-1-4-21-5-2-11/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26)
InChIKeySLRTUQXBTOKZDJ-UHFFFAOYSA-N
XLogP2.52
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide (CID 46890050) is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide is O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C1CNCC1c1ccncc1.
What is the InChIKey of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is SLRTUQXBTOKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-16-8-13-12(3-6-23-18(13)25)7-17(16)24-19(26)15-10-22-9-14(15)11-1-4-21-5-2-11/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26).
What are the key properties of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46890050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).