7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one

C16H23N3O — CID 60920159

IUPAC7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCCC1CCCC1)CCC(=O)N2
InChIInChI=1S/C16H23N3O/c17-13-10-14-12(5-6-16(20)19-14)9-15(13)18-8-7-11-3-1-2-4-11/h9-11,18H,1-8,17H2,(H,19,20)
InChIKeyJVICJCWIATWXQO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds4

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

7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 60920159) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID60920159
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCCC1CCCC1)CCC(=O)N2
InChIInChI=1S/C16H23N3O/c17-13-10-14-12(5-6-16(20)19-14)9-15(13)18-8-7-11-3-1-2-4-11/h9-11,18H,1-8,17H2,(H,19,20)
InChIKeyJVICJCWIATWXQO-UHFFFAOYSA-N
XLogP3.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
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

7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 80584888
7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61466841
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 55189494
6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 107411249
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65034025
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
N-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79861240

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 60920159) is 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NCCC1CCCC1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JVICJCWIATWXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-13-10-14-12(5-6-16(20)19-14)9-15(13)18-8-7-11-3-1-2-4-11/h9-11,18H,1-8,17H2,(H,19,20).
What are the key properties of 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 60920159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).