5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide

C33H27Cl2N5O — CID 142129138

IUPAC5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)c1cncn1C.O=C(Nc1ccccn1)c1cc(-c2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C21H14ClN3O.C12H13ClN2/c22-15-7-5-6-14(12-15)17-13-19(24-18-9-2-1-8-16(17)18)21(26)25-20-10-3-4-11-23-20;1-9(12-7-14-8-15(12)2)10-3-5-11(13)6-4-10/h1-13H,(H,23,25,26);3-9H,1-2H3
InChIKeyJMUGMKPWNDKLDD-UHFFFAOYSA-N
MW580.52 g/mol
LogP8.43
Rot. Bonds5

About 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide

5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide (PubChem CID 142129138) has the molecular formula C33H27Cl2N5O and a molecular weight of 580.52 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide
PubChem CID142129138
Molecular FormulaC33H27Cl2N5O
Molecular Weight580.52 g/mol
Exact Mass579.16
IUPAC Name5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)c1cncn1C.O=C(Nc1ccccn1)c1cc(-c2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C21H14ClN3O.C12H13ClN2/c22-15-7-5-6-14(12-15)17-13-19(24-18-9-2-1-8-16(17)18)21(26)25-20-10-3-4-11-23-20;1-9(12-7-14-8-15(12)2)10-3-5-11(13)6-4-10/h1-13H,(H,23,25,26);3-9H,1-2H3
InChIKeyJMUGMKPWNDKLDD-UHFFFAOYSA-N
XLogP8.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.52
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide
CID 23577744
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 23577736
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide
CID 10119123
5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole
CID 142129139
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 22048492
6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 44634057
1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 110674207
1-(4-chlorophenyl)-3-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]urea
CID 23577728
5-phenyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 110683613
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide
CID 23577815
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
CID 170732450

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide?
The IUPAC name of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide (CID 142129138) is 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide is CC(c1ccc(Cl)cc1)c1cncn1C.O=C(Nc1ccccn1)c1cc(-c2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide?
The InChIKey is JMUGMKPWNDKLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O.C12H13ClN2/c22-15-7-5-6-14(12-15)17-13-19(24-18-9-2-1-8-16(17)18)21(26)25-20-10-3-4-11-23-20;1-9(12-7-14-8-15(12)2)10-3-5-11(13)6-4-10/h1-13H,(H,23,25,26);3-9H,1-2H3.
What are the key properties of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide?
5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide has a molecular weight of 580.52 g/mol, XLogP of 8.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 142129138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).