2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide

C15H19N3O — CID 119429883

IUPAC2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
SMILESCNCCCNC(=O)c1cccc2ccc(C)nc12
InChIInChI=1S/C15H19N3O/c1-11-7-8-12-5-3-6-13(14(12)18-11)15(19)17-10-4-9-16-2/h3,5-8,16H,4,9-10H2,1-2H3,(H,17,19)
InChIKeyLFQGGXWVIUUDED-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide

2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide (PubChem CID 119429883) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
PubChem CID119429883
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
SMILESCNCCCNC(=O)c1cccc2ccc(C)nc12
InChIInChI=1S/C15H19N3O/c1-11-7-8-12-5-3-6-13(14(12)18-11)15(19)17-10-4-9-16-2/h3,5-8,16H,4,9-10H2,1-2H3,(H,17,19)
InChIKeyLFQGGXWVIUUDED-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 119429882
N-(2,6-dimethylphenyl)-2-methylquinoline-8-carboxamide
CID 130298179
2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
CID 119431609
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
CID 87849940
CID 87849940
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242
4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120532298
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
3-methyl-N-[3-(methylamino)propyl]acridine-4-carboxamide
CID 150282650
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide
CID 167993084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide?
The IUPAC name of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide (CID 119429883) is 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide is CNCCCNC(=O)c1cccc2ccc(C)nc12.
What is the InChIKey of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide?
The InChIKey is LFQGGXWVIUUDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-7-8-12-5-3-6-13(14(12)18-11)15(19)17-10-4-9-16-2/h3,5-8,16H,4,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide?
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide is sourced from PubChem (CID 119429883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).