5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide

C15H19N3O2 — CID 82212638

IUPAC5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cn(C)c2cccc(N)c2c1=O
InChIInChI=1S/C15H19N3O2/c1-3-4-8-17-15(20)10-9-18(2)12-7-5-6-11(16)13(12)14(10)19/h5-7,9H,3-4,8,16H2,1-2H3,(H,17,20)
InChIKeyCYXJGDTVKGLUEU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.65
Rot. Bonds4

About 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide

5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 82212638) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID82212638
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cn(C)c2cccc(N)c2c1=O
InChIInChI=1S/C15H19N3O2/c1-3-4-8-17-15(20)10-9-18(2)12-7-5-6-11(16)13(12)14(10)19/h5-7,9H,3-4,8,16H2,1-2H3,(H,17,20)
InChIKeyCYXJGDTVKGLUEU-UHFFFAOYSA-N
XLogP1.65
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
2-[(5-amino-1-methyl-4-oxoquinoline-3-carbonyl)amino]butanoic acid
CID 82212661
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947367
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947373
5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one
CID 94947331
2,3-diamino-N-hexadecylbenzamide
CID 68850287

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide (CID 82212638) is 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide is CCCCNC(=O)c1cn(C)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is CYXJGDTVKGLUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-8-17-15(20)10-9-18(2)12-7-5-6-11(16)13(12)14(10)19/h5-7,9H,3-4,8,16H2,1-2H3,(H,17,20).
What are the key properties of 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide?
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).