3-bromo-6-propoxy-1H-quinolin-4-one

C12H12BrNO2 — CID 114759446

IUPAC3-bromo-6-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc2[nH]cc(Br)c(=O)c2c1
InChIInChI=1S/C12H12BrNO2/c1-2-5-16-8-3-4-11-9(6-8)12(15)10(13)7-14-11/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyDFDOZCQUPSXYNF-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.08
Rot. Bonds3

About 3-bromo-6-propoxy-1H-quinolin-4-one

3-bromo-6-propoxy-1H-quinolin-4-one (PubChem CID 114759446) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-6-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-6-propoxy-1H-quinolin-4-one
PubChem CID114759446
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name3-bromo-6-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc2[nH]cc(Br)c(=O)c2c1
InChIInChI=1S/C12H12BrNO2/c1-2-5-16-8-3-4-11-9(6-8)12(15)10(13)7-14-11/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyDFDOZCQUPSXYNF-UHFFFAOYSA-N
XLogP3.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-6-propoxy-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

2-(5-propoxy-1H-indol-3-yl)acetaldehyde
CID 144631653
4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80643674
3-bromo-6-butyl-1H-quinolin-4-one
CID 114759349
3,3-dimethyl-1-(5-propoxy-1H-indol-3-yl)butan-1-one
CID 80642952
3-bromo-6-(diethylamino)-1H-quinolin-4-one
CID 114759474
3-bromo-4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80649238
3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296
cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
CID 80649092
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
furan-3-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643315
2-(5-butoxy-1H-indol-3-yl)acetic acid;methyl 2-(5-butoxy-1H-indol-3-yl)acetate
CID 158449887

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-propoxy-1H-quinolin-4-one?
The IUPAC name of 3-bromo-6-propoxy-1H-quinolin-4-one (CID 114759446) is 3-bromo-6-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-6-propoxy-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-6-propoxy-1H-quinolin-4-one is CCCOc1ccc2[nH]cc(Br)c(=O)c2c1.
What is the InChIKey of 3-bromo-6-propoxy-1H-quinolin-4-one?
The InChIKey is DFDOZCQUPSXYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-2-5-16-8-3-4-11-9(6-8)12(15)10(13)7-14-11/h3-4,6-7H,2,5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-6-propoxy-1H-quinolin-4-one?
3-bromo-6-propoxy-1H-quinolin-4-one has a molecular weight of 282.14 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 114759446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).