5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide

C21H15BrClN3O2 — CID 20910563

IUPAC5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12
InChIInChI=1S/C21H15BrClN3O2/c1-12-9-20(24-14-4-2-3-13(23)10-14)26-17-6-5-15(11-16(12)17)25-21(27)18-7-8-19(22)28-18/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyAUCYTXZXMLQJCL-UHFFFAOYSA-N
MW456.73 g/mol
LogP6.55
Rot. Bonds4

About 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide

5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide (PubChem CID 20910563) has the molecular formula C21H15BrClN3O2 and a molecular weight of 456.73 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide
PubChem CID20910563
Molecular FormulaC21H15BrClN3O2
Molecular Weight456.73 g/mol
Exact Mass455.00
IUPAC Name5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12
InChIInChI=1S/C21H15BrClN3O2/c1-12-9-20(24-14-4-2-3-13(23)10-14)26-17-6-5-15(11-16(12)17)25-21(27)18-7-8-19(22)28-18/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyAUCYTXZXMLQJCL-UHFFFAOYSA-N
XLogP6.55
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.73
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-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

2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide
CID 46276178
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide
CID 20910578
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide
CID 20910579
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
CID 20910572
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
CID 17204534
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide (CID 20910563) is 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide is Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12.
What is the InChIKey of 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide?
The InChIKey is AUCYTXZXMLQJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClN3O2/c1-12-9-20(24-14-4-2-3-13(23)10-14)26-17-6-5-15(11-16(12)17)25-21(27)18-7-8-19(22)28-18/h2-11H,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide?
5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide has a molecular weight of 456.73 g/mol, XLogP of 6.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 20910563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).