1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one

C15H17NO2 — CID 62024225

IUPAC1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
SMILESCC(C)(C)C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(2,3)14(18)10-16-9-8-13(17)11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3
InChIKeyCYBYAEOPXXJJJQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds2

About 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one

1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one (PubChem CID 62024225) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
PubChem CID62024225
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
SMILESCC(C)(C)C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(2,3)14(18)10-16-9-8-13(17)11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3
InChIKeyCYBYAEOPXXJJJQ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
1-(3-bromoindol-1-yl)-3,3-dimethylbutan-2-one
CID 55119966
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 97093863
N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
CID 51096627
3-(4-oxoquinolin-1-yl)propanamide
CID 53264488
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 97314243
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 94815036

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one?
The IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one (CID 62024225) is 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one.
What is the SMILES notation for 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one?
The canonical SMILES for 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one is CC(C)(C)C(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one?
The InChIKey is CYBYAEOPXXJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2,3)14(18)10-16-9-8-13(17)11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one?
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one is sourced from PubChem (CID 62024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).