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

C15H21N3O2 — CID 62360498

IUPAC6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NC1CCCCC1O)NC(=O)CC2
InChIInChI=1S/C15H21N3O2/c16-10-7-9-5-6-15(20)18-12(9)8-13(10)17-11-3-1-2-4-14(11)19/h7-8,11,14,17,19H,1-6,16H2,(H,18,20)
InChIKeyBUYHWGIOFKTNLI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.87
Rot. Bonds2

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

6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 62360498) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID62360498
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NC1CCCCC1O)NC(=O)CC2
InChIInChI=1S/C15H21N3O2/c16-10-7-9-5-6-15(20)18-12(9)8-13(10)17-11-3-1-2-4-14(11)19/h7-8,11,14,17,19H,1-6,16H2,(H,18,20)
InChIKeyBUYHWGIOFKTNLI-UHFFFAOYSA-N
XLogP1.87
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.87
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

5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one
CID 62360148
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188
6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 106358997
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-[(2-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 61466876
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-cyclopropylacetamide
CID 43568180
5-amino-6-(cyclopentylamino)-1,3-dihydroindol-2-one
CID 43451665
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79861240
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 55189494

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 62360498) is 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NC1CCCCC1O)NC(=O)CC2.
What is the InChIKey of 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BUYHWGIOFKTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-10-7-9-5-6-15(20)18-12(9)8-13(10)17-11-3-1-2-4-14(11)19/h7-8,11,14,17,19H,1-6,16H2,(H,18,20).
What are the key properties of 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(2-hydroxycyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 62360498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).