N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide

C15H19N3O — CID 62094391

IUPACN-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10(7-8-16)18-15(19)13-9-11(2)17-14-6-4-3-5-12(13)14/h3-6,9-10H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyIHEWDWLKLBJEBE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.01
Rot. Bonds4

About N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide

N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 62094391) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID62094391
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10(7-8-16)18-15(19)13-9-11(2)17-14-6-4-3-5-12(13)14/h3-6,9-10H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyIHEWDWLKLBJEBE-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide (CID 62094391) is N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)CCN)c2ccccc2n1.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is IHEWDWLKLBJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(7-8-16)18-15(19)13-9-11(2)17-14-6-4-3-5-12(13)14/h3-6,9-10H,7-8,16H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 62094391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).