1-methyl-3-(oxan-2-yl)quinolin-2-one

C15H17NO2 — CID 166438422

IUPAC1-methyl-3-(oxan-2-yl)quinolin-2-one
SMILESCn1c(=O)c(C2CCCCO2)cc2ccccc21
InChIInChI=1S/C15H17NO2/c1-16-13-7-3-2-6-11(13)10-12(15(16)17)14-8-4-5-9-18-14/h2-3,6-7,10,14H,4-5,8-9H2,1H3
InChIKeyDKSKEKHANCNFPK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds1

About 1-methyl-3-(oxan-2-yl)quinolin-2-one

1-methyl-3-(oxan-2-yl)quinolin-2-one (PubChem CID 166438422) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-3-(oxan-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(oxan-2-yl)quinolin-2-one
PubChem CID166438422
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-methyl-3-(oxan-2-yl)quinolin-2-one
SMILESCn1c(=O)c(C2CCCCO2)cc2ccccc21
InChIInChI=1S/C15H17NO2/c1-16-13-7-3-2-6-11(13)10-12(15(16)17)14-8-4-5-9-18-14/h2-3,6-7,10,14H,4-5,8-9H2,1H3
InChIKeyDKSKEKHANCNFPK-UHFFFAOYSA-N
XLogP2.78
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(oxan-2-yl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19793437
2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340023
1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340030
2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340205
1-Ethyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340011
1-Methyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340073
3-Benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
CID 135365170
3-(2-Methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
CID 135365373
N-metilatanina
CID 15460082
Almein
CID 183727
1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2(1H)-one
CID 3242172
(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 664971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxan-2-yl)quinolin-2-one?
The IUPAC name of 1-methyl-3-(oxan-2-yl)quinolin-2-one (CID 166438422) is 1-methyl-3-(oxan-2-yl)quinolin-2-one.
What is the SMILES notation for 1-methyl-3-(oxan-2-yl)quinolin-2-one?
The canonical SMILES for 1-methyl-3-(oxan-2-yl)quinolin-2-one is Cn1c(=O)c(C2CCCCO2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-(oxan-2-yl)quinolin-2-one?
The InChIKey is DKSKEKHANCNFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-13-7-3-2-6-11(13)10-12(15(16)17)14-8-4-5-9-18-14/h2-3,6-7,10,14H,4-5,8-9H2,1H3.
What are the key properties of 1-methyl-3-(oxan-2-yl)quinolin-2-one?
1-methyl-3-(oxan-2-yl)quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxan-2-yl)quinolin-2-one is sourced from PubChem (CID 166438422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).