3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one

C16H17NO4 — CID 10379301

IUPAC3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one
SMILESCCCC(=O)c1c[nH]c2c(C3COCO3)cccc2c1=O
InChIInChI=1S/C16H17NO4/c1-2-4-13(18)12-7-17-15-10(14-8-20-9-21-14)5-3-6-11(15)16(12)19/h3,5-7,14H,2,4,8-9H2,1H3,(H,17,19)
InChIKeyHVJIZMVBMNYYIZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.56
Rot. Bonds4

About 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one

3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one (PubChem CID 10379301) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one
PubChem CID10379301
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one
SMILESCCCC(=O)c1c[nH]c2c(C3COCO3)cccc2c1=O
InChIInChI=1S/C16H17NO4/c1-2-4-13(18)12-7-17-15-10(14-8-20-9-21-14)5-3-6-11(15)16(12)19/h3,5-7,14H,2,4,8-9H2,1H3,(H,17,19)
InChIKeyHVJIZMVBMNYYIZ-UHFFFAOYSA-N
XLogP2.56
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butanoyl-8-(1,3-dioxolan-4-yl)-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-butanoyl-4-oxo-1H-quinoline-8-carbonitrile
CID 164662856
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
1-(7-ethyl-1H-indol-3-yl)octan-1-one
CID 43339303
8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 25322575
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one?
The IUPAC name of 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one (CID 10379301) is 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one.
What is the SMILES notation for 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one?
The canonical SMILES for 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one is CCCC(=O)c1c[nH]c2c(C3COCO3)cccc2c1=O.
What is the InChIKey of 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one?
The InChIKey is HVJIZMVBMNYYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-4-13(18)12-7-17-15-10(14-8-20-9-21-14)5-3-6-11(15)16(12)19/h3,5-7,14H,2,4,8-9H2,1H3,(H,17,19).
What are the key properties of 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one?
3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one has a molecular weight of 287.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-8-(1,3-dioxolan-4-yl)-1H-quinolin-4-one is sourced from PubChem (CID 10379301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).