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

C30H24Cl2N4O — CID 10119123

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide
SMILESCn1cncc1C(c1ccc(Cl)cc1)c1ccc2nc(C(=O)NC3CC3)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C30H24Cl2N4O/c1-36-17-33-16-28(36)29(18-5-8-21(31)9-6-18)20-7-12-26-25(14-20)24(19-3-2-4-22(32)13-19)15-27(35-26)30(37)34-23-10-11-23/h2-9,12-17,23,29H,10-11H2,1H3,(H,34,37)
InChIKeyDHEVZZODJJNSKK-UHFFFAOYSA-N
MW527.46 g/mol
LogP7.01
Rot. Bonds6

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

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide (PubChem CID 10119123) has the molecular formula C30H24Cl2N4O and a molecular weight of 527.46 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide
PubChem CID10119123
Molecular FormulaC30H24Cl2N4O
Molecular Weight527.46 g/mol
Exact Mass526.13
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide
SMILESCn1cncc1C(c1ccc(Cl)cc1)c1ccc2nc(C(=O)NC3CC3)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C30H24Cl2N4O/c1-36-17-33-16-28(36)29(18-5-8-21(31)9-6-18)20-7-12-26-25(14-20)24(19-3-2-4-22(32)13-19)15-27(35-26)30(37)34-23-10-11-23/h2-9,12-17,23,29H,10-11H2,1H3,(H,34,37)
InChIKeyDHEVZZODJJNSKK-UHFFFAOYSA-N
XLogP7.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.46
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide (CID 10119123) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide is Cn1cncc1C(c1ccc(Cl)cc1)c1ccc2nc(C(=O)NC3CC3)cc(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide?
The InChIKey is DHEVZZODJJNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N4O/c1-36-17-33-16-28(36)29(18-5-8-21(31)9-6-18)20-7-12-26-25(14-20)24(19-3-2-4-22(32)13-19)15-27(35-26)30(37)34-23-10-11-23/h2-9,12-17,23,29H,10-11H2,1H3,(H,34,37).
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide has a molecular weight of 527.46 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide is sourced from PubChem (CID 10119123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).