3-bromo-6-(diethylamino)-1H-quinolin-4-one

C13H15BrN2O — CID 114759474

IUPAC3-bromo-6-(diethylamino)-1H-quinolin-4-one
SMILESCCN(CC)c1ccc2[nH]cc(Br)c(=O)c2c1
InChIInChI=1S/C13H15BrN2O/c1-3-16(4-2)9-5-6-12-10(7-9)13(17)11(14)8-15-12/h5-8H,3-4H2,1-2H3,(H,15,17)
InChIKeyOTMKHDOGJDCOEO-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.14
Rot. Bonds3

About 3-bromo-6-(diethylamino)-1H-quinolin-4-one

3-bromo-6-(diethylamino)-1H-quinolin-4-one (PubChem CID 114759474) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-6-(diethylamino)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-6-(diethylamino)-1H-quinolin-4-one
PubChem CID114759474
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-bromo-6-(diethylamino)-1H-quinolin-4-one
SMILESCCN(CC)c1ccc2[nH]cc(Br)c(=O)c2c1
InChIInChI=1S/C13H15BrN2O/c1-3-16(4-2)9-5-6-12-10(7-9)13(17)11(14)8-15-12/h5-8H,3-4H2,1-2H3,(H,15,17)
InChIKeyOTMKHDOGJDCOEO-UHFFFAOYSA-N
XLogP3.14
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-6-(diethylamino)-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

6-(diethylamino)-1H-quinolin-4-one
CID 63180418
3-bromo-6-butyl-1H-quinolin-4-one
CID 114759349
3-bromo-6-propoxy-1H-quinolin-4-one
CID 114759446
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199
[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4250011
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63180257
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 142656198
4-amino-N-[5-(diethylamino)-1H-indazol-3-yl]butanamide
CID 142656171
6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 86789154

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(diethylamino)-1H-quinolin-4-one?
The IUPAC name of 3-bromo-6-(diethylamino)-1H-quinolin-4-one (CID 114759474) is 3-bromo-6-(diethylamino)-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-6-(diethylamino)-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-6-(diethylamino)-1H-quinolin-4-one is CCN(CC)c1ccc2[nH]cc(Br)c(=O)c2c1.
What is the InChIKey of 3-bromo-6-(diethylamino)-1H-quinolin-4-one?
The InChIKey is OTMKHDOGJDCOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-16(4-2)9-5-6-12-10(7-9)13(17)11(14)8-15-12/h5-8H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-6-(diethylamino)-1H-quinolin-4-one?
3-bromo-6-(diethylamino)-1H-quinolin-4-one has a molecular weight of 295.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(diethylamino)-1H-quinolin-4-one is sourced from PubChem (CID 114759474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).