2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide

C19H19N3O — CID 122185951

IUPAC2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide
SMILESCc1ccc(CNc2cc(C)nc3c(C(N)=O)cccc23)cc1
InChIInChI=1S/C19H19N3O/c1-12-6-8-14(9-7-12)11-21-17-10-13(2)22-18-15(17)4-3-5-16(18)19(20)23/h3-10H,11H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyLCRSSRDNSNVWNN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide

2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide (PubChem CID 122185951) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide
PubChem CID122185951
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide
SMILESCc1ccc(CNc2cc(C)nc3c(C(N)=O)cccc23)cc1
InChIInChI=1S/C19H19N3O/c1-12-6-8-14(9-7-12)11-21-17-10-13(2)22-18-15(17)4-3-5-16(18)19(20)23/h3-10H,11H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyLCRSSRDNSNVWNN-UHFFFAOYSA-N
XLogP3.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185963
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
CID 122185970
[4-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]urea
CID 133436481
N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
CID 59474775
butyl 2-[4-[[(2-methylquinolin-4-yl)amino]methyl]phenyl]benzoate
CID 67912201
4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
CID 54071769
4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
CID 133396427
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
CID 70849512
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
6-fluoro-2-methyl-4-[(2,3,6-trichlorophenyl)methylamino]quinoline-8-carboxamide
CID 91827499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide (CID 122185951) is 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide is Cc1ccc(CNc2cc(C)nc3c(C(N)=O)cccc23)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide?
The InChIKey is LCRSSRDNSNVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-6-8-14(9-7-12)11-21-17-10-13(2)22-18-15(17)4-3-5-16(18)19(20)23/h3-10H,11H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide?
2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide is sourced from PubChem (CID 122185951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).