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

C15H21N3O2 — CID 106358997

IUPAC6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NC1CCCC1CO)NC(=O)CC2
InChIInChI=1S/C15H21N3O2/c16-11-6-9-4-5-15(20)18-13(9)7-14(11)17-12-3-1-2-10(12)8-19/h6-7,10,12,17,19H,1-5,8,16H2,(H,18,20)
InChIKeyVZTGQRQQRKPELQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.73
Rot. Bonds3

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

6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106358997) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106358997
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NC1CCCC1CO)NC(=O)CC2
InChIInChI=1S/C15H21N3O2/c16-11-6-9-4-5-15(20)18-13(9)7-14(11)17-12-3-1-2-10(12)8-19/h6-7,10,12,17,19H,1-5,8,16H2,(H,18,20)
InChIKeyVZTGQRQQRKPELQ-UHFFFAOYSA-N
XLogP1.73
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 62360498
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
5-amino-6-[(2-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 61466876
6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one
CID 106359006
6-amino-7-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 63360200
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-cyclopropylacetamide
CID 43568180
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64551358
6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
CID 136746805

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 106358997) is 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NC1CCCC1CO)NC(=O)CC2.
What is the InChIKey of 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VZTGQRQQRKPELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-11-6-9-4-5-15(20)18-13(9)7-14(11)17-12-3-1-2-10(12)8-19/h6-7,10,12,17,19H,1-5,8,16H2,(H,18,20).
What are the key properties of 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106358997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).