2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide

C28H21ClN2O2 — CID 18871528

IUPAC2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(-c3ccc(-c4ccccc4Cl)o3)nc3ccccc23)c1
InChIInChI=1S/C28H21ClN2O2/c1-17-13-18(2)15-19(14-17)30-28(32)22-16-25(31-24-10-6-4-7-20(22)24)27-12-11-26(33-27)21-8-3-5-9-23(21)29/h3-16H,1-2H3,(H,30,32)
InChIKeyAKBXDFQJJIQMJZ-UHFFFAOYSA-N
MW452.94 g/mol
LogP7.68
Rot. Bonds4

About 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide

2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 18871528) has the molecular formula C28H21ClN2O2 and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
PubChem CID18871528
Molecular FormulaC28H21ClN2O2
Molecular Weight452.94 g/mol
Exact Mass452.13
IUPAC Name2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(-c3ccc(-c4ccccc4Cl)o3)nc3ccccc23)c1
InChIInChI=1S/C28H21ClN2O2/c1-17-13-18(2)15-19(14-17)30-28(32)22-16-25(31-24-10-6-4-7-20(22)24)27-12-11-26(33-27)21-8-3-5-9-23(21)29/h3-16H,1-2H3,(H,30,32)
InChIKeyAKBXDFQJJIQMJZ-UHFFFAOYSA-N
XLogP7.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-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-[5-(2-chlorophenyl)furan-2-yl]-N-naphthalen-2-ylquinoline-4-carboxamide
CID 18871513
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 18871547
N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
CID 3320353
2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3320356
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-[4-(diethylamino)phenyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 3408470
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1000925

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide (CID 18871528) is 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(-c4ccccc4Cl)o3)nc3ccccc23)c1.
What is the InChIKey of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is AKBXDFQJJIQMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O2/c1-17-13-18(2)15-19(14-17)30-28(32)22-16-25(31-24-10-6-4-7-20(22)24)27-12-11-26(33-27)21-8-3-5-9-23(21)29/h3-16H,1-2H3,(H,30,32).
What are the key properties of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 7.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 18871528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).