N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide

C22H20N4O — CID 37426486

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c1-16-12-20(19-4-2-3-5-21(19)25-16)22(27)24-13-17-6-8-18(9-7-17)14-26-11-10-23-15-26/h2-12,15H,13-14H2,1H3,(H,24,27)
InChIKeyRXCLAJBNTCXLMP-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.72
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide (PubChem CID 37426486) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
PubChem CID37426486
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c1-16-12-20(19-4-2-3-5-21(19)25-16)22(27)24-13-17-6-8-18(9-7-17)14-26-11-10-23-15-26/h2-12,15H,13-14H2,1H3,(H,24,27)
InChIKeyRXCLAJBNTCXLMP-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide
CID 5300704
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
N-[(4-chlorophenyl)methyl]-2-imidazol-1-ylquinoline-4-carboxamide
CID 175093901
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 37424973

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide (CID 37426486) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c2ccccc2n1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is RXCLAJBNTCXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-12-20(19-4-2-3-5-21(19)25-16)22(27)24-13-17-6-8-18(9-7-17)14-26-11-10-23-15-26/h2-12,15H,13-14H2,1H3,(H,24,27).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.72, 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-methylquinoline-4-carboxamide is sourced from PubChem (CID 37426486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).