5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide

C19H25N3O2 — CID 82212580

IUPAC5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCCC2)c2cccc(N)c2c1=O
InChIInChI=1S/C19H25N3O2/c1-12(2)10-21-19(24)14-11-22(13-6-3-4-7-13)16-9-5-8-15(20)17(16)18(14)23/h5,8-9,11-13H,3-4,6-7,10,20H2,1-2H3,(H,21,24)
InChIKeyFUPQLAGRYPHNTF-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds4

About 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide

5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide (PubChem CID 82212580) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
PubChem CID82212580
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCCC2)c2cccc(N)c2c1=O
InChIInChI=1S/C19H25N3O2/c1-12(2)10-21-19(24)14-11-22(13-6-3-4-7-13)16-9-5-8-15(20)17(16)18(14)23/h5,8-9,11-13H,3-4,6-7,10,20H2,1-2H3,(H,21,24)
InChIKeyFUPQLAGRYPHNTF-UHFFFAOYSA-N
XLogP3.08
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212683
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 82212516
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide (CID 82212580) is 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide is CC(C)CNC(=O)c1cn(C2CCCC2)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is FUPQLAGRYPHNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)10-21-19(24)14-11-22(13-6-3-4-7-13)16-9-5-8-15(20)17(16)18(14)23/h5,8-9,11-13H,3-4,6-7,10,20H2,1-2H3,(H,21,24).
What are the key properties of 5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide?
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.08, 4 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-(2-methylpropyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).