N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

C19H18N2O2 — CID 7959679

IUPACN-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-11-17(16-5-3-4-6-18(16)21-13)19(22)20-12-14-7-9-15(23-2)10-8-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyNNTOWWMMNOMEKS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.48
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 7959679) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID7959679
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-11-17(16-5-3-4-6-18(16)21-13)19(22)20-12-14-7-9-15(23-2)10-8-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyNNTOWWMMNOMEKS-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide
CID 5300704
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (CID 7959679) is N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is NNTOWWMMNOMEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-11-17(16-5-3-4-6-18(16)21-13)19(22)20-12-14-7-9-15(23-2)10-8-14/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 7959679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).