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

C17H25N3O — CID 61466841

IUPAC7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1CCCCC1Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C17H25N3O/c1-2-11-5-3-4-6-14(11)19-16-9-12-7-8-17(21)20-15(12)10-13(16)18/h9-11,14,19H,2-8,18H2,1H3,(H,20,21)
InChIKeyYGXRSAOOJQJJEF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.53
Rot. Bonds3

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

7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61466841) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61466841
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1CCCCC1Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C17H25N3O/c1-2-11-5-3-4-6-14(11)19-16-9-12-7-8-17(21)20-15(12)10-13(16)18/h9-11,14,19H,2-8,18H2,1H3,(H,20,21)
InChIKeyYGXRSAOOJQJJEF-UHFFFAOYSA-N
XLogP3.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-amino-6-[(2-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 61466876
6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 106358997
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)oxy-3,4-dihydro-1H-quinolin-2-one
CID 43449975
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79861240
7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 114543241
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 55189494
7-amino-6-[(1,1-dioxothian-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63923886
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

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 61466841) is 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one is CCC1CCCCC1Nc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YGXRSAOOJQJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-11-5-3-4-6-14(11)19-16-9-12-7-8-17(21)20-15(12)10-13(16)18/h9-11,14,19H,2-8,18H2,1H3,(H,20,21).
What are the key properties of 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(2-ethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61466841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).