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

C17H24N2O2 — CID 43449975

IUPAC7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1CCCCC1Oc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C17H24N2O2/c1-2-11-5-3-4-6-15(11)21-16-9-12-7-8-17(20)19-14(12)10-13(16)18/h9-11,15H,2-8,18H2,1H3,(H,19,20)
InChIKeyXFJLLJMAGCWEPZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.50
Rot. Bonds3

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

7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449975) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449975
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1CCCCC1Oc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C17H24N2O2/c1-2-11-5-3-4-6-15(11)21-16-9-12-7-8-17(20)19-14(12)10-13(16)18/h9-11,15H,2-8,18H2,1H3,(H,19,20)
InChIKeyXFJLLJMAGCWEPZ-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 43449975) is 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one is CCC1CCCCC1Oc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XFJLLJMAGCWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-11-5-3-4-6-15(11)21-16-9-12-7-8-17(20)19-14(12)10-13(16)18/h9-11,15H,2-8,18H2,1H3,(H,19,20).
What are the key properties of 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).