7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one

C15H21N3O — CID 114543241

IUPAC7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCC(Nc2cc3c(cc2N)NC(=O)CC3)C1
InChIInChI=1S/C15H21N3O/c1-9-2-4-11(6-9)17-14-7-10-3-5-15(19)18-13(10)8-12(14)16/h7-9,11,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyLNPRCCOOMXSYNU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds2

About 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114543241) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID114543241
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCC(Nc2cc3c(cc2N)NC(=O)CC3)C1
InChIInChI=1S/C15H21N3O/c1-9-2-4-11(6-9)17-14-7-10-3-5-15(19)18-13(10)8-12(14)16/h7-9,11,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyLNPRCCOOMXSYNU-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 114547751
6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 107411249
7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 55189494
7-amino-6-[(1,1-dioxothian-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63923886
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79861240
6-chloro-5-[(3-methylcyclopentyl)amino]-1,3-dihydroindol-2-one
CID 64502307
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188
7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61466841
6-amino-7-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 63360200
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 62360498
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 114543241) is 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC1CCC(Nc2cc3c(cc2N)NC(=O)CC3)C1.
What is the InChIKey of 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNPRCCOOMXSYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-2-4-11(6-9)17-14-7-10-3-5-15(19)18-13(10)8-12(14)16/h7-9,11,17H,2-6,16H2,1H3,(H,18,19).
What are the key properties of 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114543241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).