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

C15H21Cl2N3O — CID 119429882

IUPAC2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc2ccc(C)nc12.Cl.Cl
InChIInChI=1S/C15H19N3O.2ClH/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);2*1H
InChIKeyUJKJOIGUFDZGNA-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.73
Rot. Bonds5

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

2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride (PubChem CID 119429882) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
PubChem CID119429882
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc2ccc(C)nc12.Cl.Cl
InChIInChI=1S/C15H19N3O.2ClH/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);2*1H
InChIKeyUJKJOIGUFDZGNA-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.73
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
CID 119429883
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
N-(2,6-dimethylphenyl)-2-methylquinoline-8-carboxamide
CID 130298179
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
CID 119431609
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528
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-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119432416
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride?
The IUPAC name of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride (CID 119429882) is 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride is CNCCCNC(=O)c1cccc2ccc(C)nc12.Cl.Cl.
What is the InChIKey of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride?
The InChIKey is UJKJOIGUFDZGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.2ClH/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);2*1H.
What are the key properties of 2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride?
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride has a molecular weight of 330.26 g/mol, XLogP of 2.73, 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;dihydrochloride is sourced from PubChem (CID 119429882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).