2-amino-N-(4-methylpentyl)quinoline-4-carboxamide

C16H21N3O — CID 63002970

IUPAC2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
SMILESCC(C)CCCNC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)6-5-9-18-16(20)13-10-15(17)19-14-8-4-3-7-12(13)14/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyXHLYYLKAAPKXLE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds5

About 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide

2-amino-N-(4-methylpentyl)quinoline-4-carboxamide (PubChem CID 63002970) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
PubChem CID63002970
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
SMILESCC(C)CCCNC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)6-5-9-18-16(20)13-10-15(17)19-14-8-4-3-7-12(13)14/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyXHLYYLKAAPKXLE-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.98
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-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
CID 115522077
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 62185839
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide (CID 63002970) is 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide is CC(C)CCCNC(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide?
The InChIKey is XHLYYLKAAPKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)6-5-9-18-16(20)13-10-15(17)19-14-8-4-3-7-12(13)14/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide?
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylpentyl)quinoline-4-carboxamide is sourced from PubChem (CID 63002970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).