N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C26H23ClN4O2 — CID 71208846

IUPACN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C26H23ClN4O2/c27-20-9-10-22-23(14-20)31(21-6-2-1-3-7-21)17-19(25(22)32)16-29-26(33)18-8-11-24(28-15-18)30-12-4-5-13-30/h1-3,6-11,14-15,17H,4-5,12-13,16H2,(H,29,33)
InChIKeyRUQWOHJJIMCQMH-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.57
Rot. Bonds5

About N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 71208846) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID71208846
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C26H23ClN4O2/c27-20-9-10-22-23(14-20)31(21-6-2-1-3-7-21)17-19(25(22)32)16-29-26(33)18-8-11-24(28-15-18)30-12-4-5-13-30/h1-3,6-11,14-15,17H,4-5,12-13,16H2,(H,29,33)
InChIKeyRUQWOHJJIMCQMH-UHFFFAOYSA-N
XLogP4.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-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 N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 71208846) is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is RUQWOHJJIMCQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c27-20-9-10-22-23(14-20)31(21-6-2-1-3-7-21)17-19(25(22)32)16-29-26(33)18-8-11-24(28-15-18)30-12-4-5-13-30/h1-3,6-11,14-15,17H,4-5,12-13,16H2,(H,29,33).
What are the key properties of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 71208846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).