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

C14H15NO2 — CID 919960

IUPAC4-methyl-1-(3-oxobutyl)quinolin-2-one
SMILESCC(=O)CCn1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C14H15NO2/c1-10-9-14(17)15(8-7-11(2)16)13-6-4-3-5-12(10)13/h3-6,9H,7-8H2,1-2H3
InChIKeyKZRMRGBHRWMQOE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.29
Rot. Bonds3

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

4-methyl-1-(3-oxobutyl)quinolin-2-one (PubChem CID 919960) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-1-(3-oxobutyl)quinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-oxobutyl)quinolin-2-one
PubChem CID919960
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-methyl-1-(3-oxobutyl)quinolin-2-one
SMILESCC(=O)CCn1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C14H15NO2/c1-10-9-14(17)15(8-7-11(2)16)13-6-4-3-5-12(10)13/h3-6,9H,7-8H2,1-2H3
InChIKeyKZRMRGBHRWMQOE-UHFFFAOYSA-N
XLogP2.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763926
N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943
1-(3-chlorobut-2-enyl)-4-methylquinolin-2-one
CID 3722733
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914
N-(2,5-dichlorophenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763973
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46969091
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022
N-(2,4-dimethoxyphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763982
N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39764289
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
1-(2-amino-2-methylpropyl)-4-methylquinolin-2-one
CID 82167951

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-oxobutyl)quinolin-2-one?
The IUPAC name of 4-methyl-1-(3-oxobutyl)quinolin-2-one (CID 919960) is 4-methyl-1-(3-oxobutyl)quinolin-2-one.
What is the SMILES notation for 4-methyl-1-(3-oxobutyl)quinolin-2-one?
The canonical SMILES for 4-methyl-1-(3-oxobutyl)quinolin-2-one is CC(=O)CCn1c(=O)cc(C)c2ccccc21.
What is the InChIKey of 4-methyl-1-(3-oxobutyl)quinolin-2-one?
The InChIKey is KZRMRGBHRWMQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-9-14(17)15(8-7-11(2)16)13-6-4-3-5-12(10)13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-methyl-1-(3-oxobutyl)quinolin-2-one?
4-methyl-1-(3-oxobutyl)quinolin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-oxobutyl)quinolin-2-one is sourced from PubChem (CID 919960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).