N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide

C23H22N4O — CID 37423259

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)c2c1
InChIInChI=1S/C23H22N4O/c1-16-3-8-22-20(11-16)21(12-17(2)26-22)23(28)25-13-18-4-6-19(7-5-18)14-27-10-9-24-15-27/h3-12,15H,13-14H2,1-2H3,(H,25,28)
InChIKeyWHPGNERASHGYGN-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.03
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 37423259) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID37423259
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)c2c1
InChIInChI=1S/C23H22N4O/c1-16-3-8-22-20(11-16)21(12-17(2)26-22)23(28)25-13-18-4-6-19(7-5-18)14-27-10-9-24-15-27/h3-12,15H,13-14H2,1-2H3,(H,25,28)
InChIKeyWHPGNERASHGYGN-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
CID 134035263
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426607
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 50953394
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 37425268
2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide (CID 37423259) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)c2c1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is WHPGNERASHGYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-3-8-22-20(11-16)21(12-17(2)26-22)23(28)25-13-18-4-6-19(7-5-18)14-27-10-9-24-15-27/h3-12,15H,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 37423259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).