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

C14H15NO2 — CID 166437536

IUPAC1-methyl-3-(oxolan-2-yl)quinolin-2-one
SMILESCn1c(=O)c(C2CCCO2)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-15-12-6-3-2-5-10(12)9-11(14(15)16)13-7-4-8-17-13/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyXMGACKBLJFXYCP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.39
Rot. Bonds1

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

1-methyl-3-(oxolan-2-yl)quinolin-2-one (PubChem CID 166437536) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(oxolan-2-yl)quinolin-2-one
PubChem CID166437536
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-methyl-3-(oxolan-2-yl)quinolin-2-one
SMILESCn1c(=O)c(C2CCCO2)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-15-12-6-3-2-5-10(12)9-11(14(15)16)13-7-4-8-17-13/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyXMGACKBLJFXYCP-UHFFFAOYSA-N
XLogP2.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Almein
CID 183727
Carbostyril, 1,3-dimethyl-4-methoxy-
CID 36192
(2R)-5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-c]quinolin-4-one
CID 163020574
Ravenine
CID 21763830
3-(1,4-Dioxan-2-yl)-6-fluoro-1-methylquinolin-2-one
CID 166440180
Ethyl 1,2-dihydro-1-methyl-2-oxoquinoline-4-carboxylate
CID 615737
7-Methyl-2,5-dihydrooxepino[3,2-c]quinolin-6-one
CID 12194066
3-Ethoxymethylquinolin-2-one
CID 119091123
Methyl 1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 15054785
3-(1,4-Dioxan-2-yl)-1-methylquinolin-2-one
CID 156695648
2,3-Dihydro-1-benzazepin-1-yl-(2-methyloxolan-3-yl)methanone
CID 121523666
6-Fluoro-3-(methoxymethyl)-1-methylquinolin-2-one
CID 142044531

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-2-yl)quinolin-2-one?
The IUPAC name of 1-methyl-3-(oxolan-2-yl)quinolin-2-one (CID 166437536) is 1-methyl-3-(oxolan-2-yl)quinolin-2-one.
What is the SMILES notation for 1-methyl-3-(oxolan-2-yl)quinolin-2-one?
The canonical SMILES for 1-methyl-3-(oxolan-2-yl)quinolin-2-one is Cn1c(=O)c(C2CCCO2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-(oxolan-2-yl)quinolin-2-one?
The InChIKey is XMGACKBLJFXYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-12-6-3-2-5-10(12)9-11(14(15)16)13-7-4-8-17-13/h2-3,5-6,9,13H,4,7-8H2,1H3.
What are the key properties of 1-methyl-3-(oxolan-2-yl)quinolin-2-one?
1-methyl-3-(oxolan-2-yl)quinolin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-2-yl)quinolin-2-one is sourced from PubChem (CID 166437536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).