1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one

C15H17NO2 — CID 84630848

IUPAC1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one
SMILESCC(=O)Cc1cc2c(C)cc(C)cc2n(C)c1=O
InChIInChI=1S/C15H17NO2/c1-9-5-10(2)13-8-12(7-11(3)17)15(18)16(4)14(13)6-9/h5-6,8H,7H2,1-4H3
InChIKeyPEPBXXRBKFXAEU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.29
Rot. Bonds2

About 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one

1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one (PubChem CID 84630848) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one.

Molecular Properties

Compound Name1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one
PubChem CID84630848
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one
SMILESCC(=O)Cc1cc2c(C)cc(C)cc2n(C)c1=O
InChIInChI=1S/C15H17NO2/c1-9-5-10(2)13-8-12(7-11(3)17)15(18)16(4)14(13)6-9/h5-6,8H,7H2,1-4H3
InChIKeyPEPBXXRBKFXAEU-UHFFFAOYSA-N
XLogP2.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5,7-trimethyl-3-(2-oxopropyl)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

3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one
CID 132608908
3-(hydroxymethyl)-1,7-dimethylquinolin-2-one
CID 18802191
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde
CID 84625850
1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one
CID 158039804
1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione
CID 46786232
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
1-(5,6-dimethyl-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-one
CID 82497831
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
(2,4,6-trimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8915391
1-[(3,5-dimethylphenyl)methylsulfanyl]propan-2-one
CID 79670956
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
CID 84625068
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one?
The IUPAC name of 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one (CID 84630848) is 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one.
What is the SMILES notation for 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one?
The canonical SMILES for 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one is CC(=O)Cc1cc2c(C)cc(C)cc2n(C)c1=O.
What is the InChIKey of 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one?
The InChIKey is PEPBXXRBKFXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-5-10(2)13-8-12(7-11(3)17)15(18)16(4)14(13)6-9/h5-6,8H,7H2,1-4H3.
What are the key properties of 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one?
1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-(2-oxopropyl)quinolin-2-one is sourced from PubChem (CID 84630848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).