4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide

C33H25Cl2N5O — CID 23577744

About 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide (PubChem CID 23577744) has the molecular formula C33H25Cl2N5O and a molecular weight of 578.50 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide
• PubChem CID: 23577744
• Molecular Formula: C33H25Cl2N5O
• Molecular Weight: 578.50 g/mol
• Exact Mass: 577.14
• IUPAC Name: 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide
• SMILES: Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)c3cc(C(c4ccc(Cl)cc4)c4cncn4C)ccc3n2)n1
• InChI: InChI=1S/C33H25Cl2N5O/c1-20-5-3-8-31(37-20)39-33(41)29-17-26(22-6-4-7-25(35)15-22)27-16-23(11-14-28(27)38-29)32(30-18-36-19-40(30)2)21-9-12-24(34)13-10-21/h3-19,32H,1-2H3,(H,37,39,41)
• InChIKey: FKCRZGCNZLTSTD-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.50
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide (CID 23577744) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide.

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

The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide is Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)c3cc(C(c4ccc(Cl)cc4)c4cncn4C)ccc3n2)n1.

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

The InChIKey is FKCRZGCNZLTSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Cl2N5O/c1-20-5-3-8-31(37-20)39-33(41)29-17-26(22-6-4-7-25(35)15-22)27-16-23(11-14-28(27)38-29)32(30-18-36-19-40(30)2)21-9-12-24(34)13-10-21/h3-19,32H,1-2H3,(H,37,39,41).

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

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide has a molecular weight of 578.50 g/mol, XLogP of 8.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide is sourced from PubChem (CID 23577744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).