2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide

C25H24N4O2 — CID 55457097

IUPAC2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(C3CC3)nc3ccccc23)c2nccn2C)cc1
InChIInChI=1S/C25H24N4O2/c1-29-14-13-26-24(29)23(17-9-11-18(31-2)12-10-17)28-25(30)20-15-22(16-7-8-16)27-21-6-4-3-5-19(20)21/h3-6,9-16,23H,7-8H2,1-2H3,(H,28,30)
InChIKeyNYAGJQSWSVBIAD-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.37
Rot. Bonds6

About 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide

2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide (PubChem CID 55457097) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
PubChem CID55457097
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(C3CC3)nc3ccccc23)c2nccn2C)cc1
InChIInChI=1S/C25H24N4O2/c1-29-14-13-26-24(29)23(17-9-11-18(31-2)12-10-17)28-25(30)20-15-22(16-7-8-16)27-21-6-4-3-5-19(20)21/h3-6,9-16,23H,7-8H2,1-2H3,(H,28,30)
InChIKeyNYAGJQSWSVBIAD-UHFFFAOYSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55454114
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 46631518
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25350381
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 17452746
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110429336
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 78835145
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide (CID 55457097) is 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide is COc1ccc(C(NC(=O)c2cc(C3CC3)nc3ccccc23)c2nccn2C)cc1.
What is the InChIKey of 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
The InChIKey is NYAGJQSWSVBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29-14-13-26-24(29)23(17-9-11-18(31-2)12-10-17)28-25(30)20-15-22(16-7-8-16)27-21-6-4-3-5-19(20)21/h3-6,9-16,23H,7-8H2,1-2H3,(H,28,30).
What are the key properties of 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 55457097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).