N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide

C16H21N3O2 — CID 63887542

IUPACN-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-10(2)7-11(9-17)18-16(21)13-8-15(20)19-14-6-4-3-5-12(13)14/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFSMDVFMTLWAOJB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.63
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide

N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 63887542) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID63887542
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-10(2)7-11(9-17)18-16(21)13-8-15(20)19-14-6-4-3-5-12(13)14/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFSMDVFMTLWAOJB-UHFFFAOYSA-N
XLogP1.63
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
CID 115661928
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2579582
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
[2-(3-methylbutylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573495

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide (CID 63887542) is N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide is CC(C)CC(CN)NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is FSMDVFMTLWAOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)7-11(9-17)18-16(21)13-8-15(20)19-14-6-4-3-5-12(13)14/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 63887542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).