N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide

C20H17N3O — CID 134035263

IUPACN-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H17N3O/c1-13-3-8-19-17(9-13)18(10-14(2)23-19)20(24)22-12-16-6-4-15(11-21)5-7-16/h3-10H,12H2,1-2H3,(H,22,24)
InChIKeyIYAHKNFKHHGMLF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.65
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide

N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 134035263) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID134035263
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H17N3O/c1-13-3-8-19-17(9-13)18(10-14(2)23-19)20(24)22-12-16-6-4-15(11-21)5-7-16/h3-10H,12H2,1-2H3,(H,22,24)
InChIKeyIYAHKNFKHHGMLF-UHFFFAOYSA-N
XLogP3.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 70708439
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-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46591179
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide (CID 134035263) is N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCc3ccc(C#N)cc3)c2c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is IYAHKNFKHHGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-3-8-19-17(9-13)18(10-14(2)23-19)20(24)22-12-16-6-4-15(11-21)5-7-16/h3-10H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide?
N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 134035263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).