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

C16H23N3O — CID 107411249

IUPAC6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCC(CNc2cc3c(cc2N)CCC(=O)N3)C1
InChIInChI=1S/C16H23N3O/c1-10-2-3-11(6-10)9-18-15-8-14-12(7-13(15)17)4-5-16(20)19-14/h7-8,10-11,18H,2-6,9,17H2,1H3,(H,19,20)
InChIKeyKWGOJIBHMCNTQJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.00
Rot. Bonds3

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

6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107411249) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID107411249
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCC(CNc2cc3c(cc2N)CCC(=O)N3)C1
InChIInChI=1S/C16H23N3O/c1-10-2-3-11(6-10)9-18-15-8-14-12(7-13(15)17)4-5-16(20)19-14/h7-8,10-11,18H,2-6,9,17H2,1H3,(H,19,20)
InChIKeyKWGOJIBHMCNTQJ-UHFFFAOYSA-N
XLogP3.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.00
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

6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 114543241
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455539
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-cyclopropylacetamide
CID 43568180
N-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 107411249) is 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is CC1CCC(CNc2cc3c(cc2N)CCC(=O)N3)C1.
What is the InChIKey of 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KWGOJIBHMCNTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-2-3-11(6-10)9-18-15-8-14-12(7-13(15)17)4-5-16(20)19-14/h7-8,10-11,18H,2-6,9,17H2,1H3,(H,19,20).
What are the key properties of 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107411249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).