1-ethyl-3-(3-oxobutyl)quinolin-2-one

C15H17NO2 — CID 116985576

IUPAC1-ethyl-3-(3-oxobutyl)quinolin-2-one
SMILESCCn1c(=O)c(CCC(C)=O)cc2ccccc21
InChIInChI=1S/C15H17NO2/c1-3-16-14-7-5-4-6-12(14)10-13(15(16)18)9-8-11(2)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyXQEPDMWDPAWDGI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds4

About 1-ethyl-3-(3-oxobutyl)quinolin-2-one

1-ethyl-3-(3-oxobutyl)quinolin-2-one (PubChem CID 116985576) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-ethyl-3-(3-oxobutyl)quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-oxobutyl)quinolin-2-one
PubChem CID116985576
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-ethyl-3-(3-oxobutyl)quinolin-2-one
SMILESCCn1c(=O)c(CCC(C)=O)cc2ccccc21
InChIInChI=1S/C15H17NO2/c1-3-16-14-7-5-4-6-12(14)10-13(15(16)18)9-8-11(2)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyXQEPDMWDPAWDGI-UHFFFAOYSA-N
XLogP2.54
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
3-(chloromethyl)-1-ethylquinolin-2-one
CID 18801760
3-(3-aminobutyl)-1-ethylquinolin-2-one
CID 116985538
1-(1-ethylindol-2-yl)propan-2-one
CID 115107033
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
3-bromo-1-ethylquinolin-2-one
CID 116985609
4-[3-(3-oxobutyl)azulen-1-yl]butan-2-one
CID 23624505
2-(1-ethylindol-2-yl)acetamide
CID 67469018
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
ethane;methyl 3-(1-ethylindol-2-yl)propanoate
CID 91236893
1-ethylindole-2-carbohydrazide
CID 166595239
2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide
CID 63021327

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-oxobutyl)quinolin-2-one?
The IUPAC name of 1-ethyl-3-(3-oxobutyl)quinolin-2-one (CID 116985576) is 1-ethyl-3-(3-oxobutyl)quinolin-2-one.
What is the SMILES notation for 1-ethyl-3-(3-oxobutyl)quinolin-2-one?
The canonical SMILES for 1-ethyl-3-(3-oxobutyl)quinolin-2-one is CCn1c(=O)c(CCC(C)=O)cc2ccccc21.
What is the InChIKey of 1-ethyl-3-(3-oxobutyl)quinolin-2-one?
The InChIKey is XQEPDMWDPAWDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-16-14-7-5-4-6-12(14)10-13(15(16)18)9-8-11(2)17/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-oxobutyl)quinolin-2-one?
1-ethyl-3-(3-oxobutyl)quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-oxobutyl)quinolin-2-one is sourced from PubChem (CID 116985576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).