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

C16H19N3O2 — CID 82212585

IUPAC5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(C2CCCC2)c2cccc(N)c2c1=O
InChIInChI=1S/C16H19N3O2/c1-18-16(21)11-9-19(10-5-2-3-6-10)13-8-4-7-12(17)14(13)15(11)20/h4,7-10H,2-3,5-6,17H2,1H3,(H,18,21)
InChIKeyLXNFOCYJFLYBAB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.06
Rot. Bonds2

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

5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 82212585) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
PubChem CID82212585
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(C2CCCC2)c2cccc(N)c2c1=O
InChIInChI=1S/C16H19N3O2/c1-18-16(21)11-9-19(10-5-2-3-6-10)13-8-4-7-12(17)14(13)15(11)20/h4,7-10H,2-3,5-6,17H2,1H3,(H,18,21)
InChIKeyLXNFOCYJFLYBAB-UHFFFAOYSA-N
XLogP2.06
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212683
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide (CID 82212585) is 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide is CNC(=O)c1cn(C2CCCC2)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is LXNFOCYJFLYBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-16(21)11-9-19(10-5-2-3-6-10)13-8-4-7-12(17)14(13)15(11)20/h4,7-10H,2-3,5-6,17H2,1H3,(H,18,21).
What are the key properties of 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide?
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).