1-methyl-3-(4-oxocyclohexyl)quinolin-2-one

C16H17NO2 — CID 116985109

IUPAC1-methyl-3-(4-oxocyclohexyl)quinolin-2-one
SMILESCn1c(=O)c(C2CCC(=O)CC2)cc2ccccc21
InChIInChI=1S/C16H17NO2/c1-17-15-5-3-2-4-12(15)10-14(16(17)19)11-6-8-13(18)9-7-11/h2-5,10-11H,6-9H2,1H3
InChIKeyCBJFHWKEVYNZOY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.77
Rot. Bonds1

About 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one

1-methyl-3-(4-oxocyclohexyl)quinolin-2-one (PubChem CID 116985109) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-oxocyclohexyl)quinolin-2-one
PubChem CID116985109
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-methyl-3-(4-oxocyclohexyl)quinolin-2-one
SMILESCn1c(=O)c(C2CCC(=O)CC2)cc2ccccc21
InChIInChI=1S/C16H17NO2/c1-17-15-5-3-2-4-12(15)10-14(16(17)19)11-6-8-13(18)9-7-11/h2-5,10-11H,6-9H2,1H3
InChIKeyCBJFHWKEVYNZOY-UHFFFAOYSA-N
XLogP2.77
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one?
The IUPAC name of 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one (CID 116985109) is 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one?
The canonical SMILES for 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one is Cn1c(=O)c(C2CCC(=O)CC2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one?
The InChIKey is CBJFHWKEVYNZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-15-5-3-2-4-12(15)10-14(16(17)19)11-6-8-13(18)9-7-11/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one?
1-methyl-3-(4-oxocyclohexyl)quinolin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxocyclohexyl)quinolin-2-one is sourced from PubChem (CID 116985109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).