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

C15H21N3O — CID 63278188

IUPAC6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCCC1Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C15H21N3O/c1-9-3-2-4-12(9)17-14-8-13-10(7-11(14)16)5-6-15(19)18-13/h7-9,12,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyWSJPITLRWKDBCW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds2

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

6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63278188) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID63278188
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCCC1Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C15H21N3O/c1-9-3-2-4-12(9)17-14-8-13-10(7-11(14)16)5-6-15(19)18-13/h7-9,12,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyWSJPITLRWKDBCW-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'}

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Related Compounds

3-Amino-5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-amino]-3,4-dihydro-1H-quinolin-2-one
CID 44282585
N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)cyclopentanecarboxamide
CID 40805141
2-(tert-butylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
CID 70682564
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)cyclopentanecarboxamide
CID 7527158
N-[1-(2-Methylpropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-YL]acetamide
CID 16927144
N-(1-ethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)cyclopentanecarboxamide
CID 18571218
3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide
CID 20944533
6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2(1H)-one
CID 43446543
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-cyclopentylacetamide
CID 50832455
6-(piperazin-1-yl)-3,4-dihydroquinolin-2(1H)-one
CID 11117896
7-amino-3-[(3R)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 59149965
3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 59150164

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 63278188) is 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC1CCCC1Nc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WSJPITLRWKDBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-3-2-4-12(9)17-14-8-13-10(7-11(14)16)5-6-15(19)18-13/h7-9,12,17H,2-6,16H2,1H3,(H,18,19).
What are the key properties of 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(2-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 6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63278188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).