7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide

C25H20Cl2N4O3 — CID 71811128

IUPAC7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1c(CNC(=O)c2ccc(Cl)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C25H20Cl2N4O3/c1-30(2)25(34)22-19(14-29-24(33)15-8-11-21(27)28-13-15)23(32)18-10-9-16(26)12-20(18)31(22)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,29,33)
InChIKeyGFIJQNNKBLYNCQ-UHFFFAOYSA-N
MW495.37 g/mol
LogP4.32
Rot. Bonds5

About 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide

7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide (PubChem CID 71811128) has the molecular formula C25H20Cl2N4O3 and a molecular weight of 495.37 g/mol. Its IUPAC name is 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
PubChem CID71811128
Molecular FormulaC25H20Cl2N4O3
Molecular Weight495.37 g/mol
Exact Mass494.09
IUPAC Name7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1c(CNC(=O)c2ccc(Cl)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C25H20Cl2N4O3/c1-30(2)25(34)22-19(14-29-24(33)15-8-11-21(27)28-13-15)23(32)18-10-9-16(26)12-20(18)31(22)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,29,33)
InChIKeyGFIJQNNKBLYNCQ-UHFFFAOYSA-N
XLogP4.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 7-chloro-3-[[(4-methoxycarbonylbenzoyl)amino]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208523
[1-[5-[[7-chloro-2-(dimethylcarbamoyl)-4-oxo-1-phenylquinolin-3-yl]methylcarbamoyl]-2-pyridinyl]piperidin-3-yl] 2,2,2-trifluoroacetate
CID 123383874
7-chloro-N,N-dimethyl-3-[[[(2E)-2-(methylaminomethylidene)but-3-enoyl]amino]methyl]-4-oxo-1-phenylquinoline-2-carboxamide
CID 118601565
[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate
CID 118597235
N-[(2-acetyl-7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 71229739
N-[[7-chloro-2-(1-methoxyethenyl)-4-oxo-1-phenylquinolin-3-yl]methyl]-4-methylsulfonylbenzamide
CID 118601600
methyl 7-chloro-4-oxo-1-phenyl-3-[[(4-sulfamoylbenzoyl)amino]methyl]quinoline-2-carboxylate
CID 71208509
[7-chloro-3-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] methyl carbonate
CID 118597234
[7-chloro-3-[[(4-methylsulfonylbenzoyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate
CID 118597224
methyl 7-chloro-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208521
[3-[(1,3-benzothiazole-5-carbonylamino)methyl]-7-chloro-4-oxo-1-phenylquinolin-2-yl] methyl carbonate
CID 118597183
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-methoxypyridine-3-carboxamide
CID 71208877

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The IUPAC name of 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide (CID 71811128) is 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The canonical SMILES for 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide is CN(C)C(=O)c1c(CNC(=O)c2ccc(Cl)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The InChIKey is GFIJQNNKBLYNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O3/c1-30(2)25(34)22-19(14-29-24(33)15-8-11-21(27)28-13-15)23(32)18-10-9-16(26)12-20(18)31(22)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,29,33).
What are the key properties of 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide has a molecular weight of 495.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[(6-chloropyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide is sourced from PubChem (CID 71811128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).