N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide

C24H21ClN4O3 — CID 71208705

IUPACN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NCCO)nc1
InChIInChI=1S/C24H21ClN4O3/c25-18-7-8-20-21(12-18)29(19-4-2-1-3-5-19)15-17(23(20)31)14-28-24(32)16-6-9-22(27-13-16)26-10-11-30/h1-9,12-13,15,30H,10-11,14H2,(H,26,27)(H,28,32)
InChIKeyFIJXVKOKYPXWFF-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.37
Rot. Bonds7

About N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide (PubChem CID 71208705) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide
PubChem CID71208705
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NCCO)nc1
InChIInChI=1S/C24H21ClN4O3/c25-18-7-8-20-21(12-18)29(19-4-2-1-3-5-19)15-17(23(20)31)14-28-24(32)16-6-9-22(27-13-16)26-10-11-30/h1-9,12-13,15,30H,10-11,14H2,(H,26,27)(H,28,32)
InChIKeyFIJXVKOKYPXWFF-UHFFFAOYSA-N
XLogP3.37
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-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-(2-hydroxyethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide (CID 71208705) is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NCCO)nc1.
What is the InChIKey of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide?
The InChIKey is FIJXVKOKYPXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-18-7-8-20-21(12-18)29(19-4-2-1-3-5-19)15-17(23(20)31)14-28-24(32)16-6-9-22(27-13-16)26-10-11-30/h1-9,12-13,15,30H,10-11,14H2,(H,26,27)(H,28,32).
What are the key properties of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide?
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71208705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).