3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one

C16H19NO3 — CID 10333492

IUPAC3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
SMILESCCC(CC)C(=O)c1c[nH]c2c(OC)cccc2c1=O
InChIInChI=1S/C16H19NO3/c1-4-10(5-2)15(18)12-9-17-14-11(16(12)19)7-6-8-13(14)20-3/h6-10H,4-5H2,1-3H3,(H,17,19)
InChIKeyQVESVPSJGPLSCK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.16
Rot. Bonds5

About 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one

3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one (PubChem CID 10333492) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
PubChem CID10333492
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
SMILESCCC(CC)C(=O)c1c[nH]c2c(OC)cccc2c1=O
InChIInChI=1S/C16H19NO3/c1-4-10(5-2)15(18)12-9-17-14-11(16(12)19)7-6-8-13(14)20-3/h6-10H,4-5H2,1-3H3,(H,17,19)
InChIKeyQVESVPSJGPLSCK-UHFFFAOYSA-N
XLogP3.16
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-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-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
8-methoxy-N-(6-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831811
propan-2-yl 4-[(8-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 43831906
ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate
CID 102584302
1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96675265
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
3-acetyl-8-methoxy-1H-quinolin-4-one;1-(4-chloro-8-methoxyquinolin-3-yl)ethanone
CID 158708197
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
CID 51043857

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one (CID 10333492) is 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one is CCC(CC)C(=O)c1c[nH]c2c(OC)cccc2c1=O.
What is the InChIKey of 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one?
The InChIKey is QVESVPSJGPLSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-10(5-2)15(18)12-9-17-14-11(16(12)19)7-6-8-13(14)20-3/h6-10H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one?
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one has a molecular weight of 273.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 10333492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).