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

C33H25Cl2N5O — CID 23577736

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
SMILESCn1cncc1C(c1ccc(Cl)cc1)c1ccc2nc(C(=O)NCc3ccccn3)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C33H25Cl2N5O/c1-40-20-36-19-31(40)32(21-8-11-24(34)12-9-21)23-10-13-29-28(16-23)27(22-5-4-6-25(35)15-22)17-30(39-29)33(41)38-18-26-7-2-3-14-37-26/h2-17,19-20,32H,18H2,1H3,(H,38,41)
InChIKeyFWRDSXIWZJQWEK-UHFFFAOYSA-N
MW578.50 g/mol
LogP7.45
Rot. Bonds7

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

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 23577736) 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-(pyridin-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
PubChem CID23577736
Molecular FormulaC33H25Cl2N5O
Molecular Weight578.50 g/mol
Exact Mass577.14
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
SMILESCn1cncc1C(c1ccc(Cl)cc1)c1ccc2nc(C(=O)NCc3ccccn3)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C33H25Cl2N5O/c1-40-20-36-19-31(40)32(21-8-11-24(34)12-9-21)23-10-13-29-28(16-23)27(22-5-4-6-25(35)15-22)17-30(39-29)33(41)38-18-26-7-2-3-14-37-26/h2-17,19-20,32H,18H2,1H3,(H,38,41)
InChIKeyFWRDSXIWZJQWEK-UHFFFAOYSA-N
XLogP7.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.50
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide
CID 142129138
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179
2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 3590750
5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 1093842
2,4-diethyl-6-[(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinoline
CID 129043732
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
CID 86798695
N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
CID 91435879
1-(4-chlorophenyl)-3-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]urea
CID 23577728

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide (CID 23577736) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide is Cn1cncc1C(c1ccc(Cl)cc1)c1ccc2nc(C(=O)NCc3ccccn3)cc(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is FWRDSXIWZJQWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Cl2N5O/c1-40-20-36-19-31(40)32(21-8-11-24(34)12-9-21)23-10-13-29-28(16-23)27(22-5-4-6-25(35)15-22)17-30(39-29)33(41)38-18-26-7-2-3-14-37-26/h2-17,19-20,32H,18H2,1H3,(H,38,41).
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 578.50 g/mol, XLogP of 7.45, 7 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-(pyridin-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 23577736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).