N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide

C31H22Cl2N4O3 — CID 23577815

About N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide

N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide (PubChem CID 23577815) has the molecular formula C31H22Cl2N4O3 and a molecular weight of 569.45 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide
• PubChem CID: 23577815
• Molecular Formula: C31H22Cl2N4O3
• Molecular Weight: 569.45 g/mol
• Exact Mass: 568.11
• IUPAC Name: N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide
• SMILES: Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)c3ccoc3)cc(-c3cccc(Cl)c3)c2c1
• InChI: InChI=1S/C31H22Cl2N4O3/c1-37-18-34-16-28(37)31(39,21-5-8-23(32)9-6-21)22-7-10-27-26(14-22)25(19-3-2-4-24(33)13-19)15-29(35-27)36-30(38)20-11-12-40-17-20/h2-18,39H,1H3,(H,35,36,38)
• InChIKey: VMPGQQSCTIKMDA-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 93.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.45
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide?

The IUPAC name of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide (CID 23577815) is N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide.

What is the SMILES notation for N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide?

The canonical SMILES for N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)c3ccoc3)cc(-c3cccc(Cl)c3)c2c1.

What is the InChIKey of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide?

The InChIKey is VMPGQQSCTIKMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Cl2N4O3/c1-37-18-34-16-28(37)31(39,21-5-8-23(32)9-6-21)22-7-10-27-26(14-22)25(19-3-2-4-24(33)13-19)15-29(35-27)36-30(38)20-11-12-40-17-20/h2-18,39H,1H3,(H,35,36,38).

What are the key properties of N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide?

N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide has a molecular weight of 569.45 g/mol, XLogP of 7.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 23577815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).