3-bromo-6,7-diethoxy-1H-quinolin-4-one

C13H14BrNO3 — CID 114759296

IUPAC3-bromo-6,7-diethoxy-1H-quinolin-4-one
SMILESCCOc1cc2[nH]cc(Br)c(=O)c2cc1OCC
InChIInChI=1S/C13H14BrNO3/c1-3-17-11-5-8-10(6-12(11)18-4-2)15-7-9(14)13(8)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyYDDBDYUMXSLLTI-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.09
Rot. Bonds4

About 3-bromo-6,7-diethoxy-1H-quinolin-4-one

3-bromo-6,7-diethoxy-1H-quinolin-4-one (PubChem CID 114759296) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 3-bromo-6,7-diethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-6,7-diethoxy-1H-quinolin-4-one
PubChem CID114759296
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name3-bromo-6,7-diethoxy-1H-quinolin-4-one
SMILESCCOc1cc2[nH]cc(Br)c(=O)c2cc1OCC
InChIInChI=1S/C13H14BrNO3/c1-3-17-11-5-8-10(6-12(11)18-4-2)15-7-9(14)13(8)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyYDDBDYUMXSLLTI-UHFFFAOYSA-N
XLogP3.09
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-diethoxy-3-iodo-1H-quinolin-4-one
CID 102614933
6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 50877325
5-bromo-4-ethoxy-1H-pyridin-2-one
CID 119093951
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
3-bromo-6-propoxy-1H-quinolin-4-one
CID 114759446
ethane;7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
CID 144800132
3-bromo-6-(diethylamino)-1H-quinolin-4-one
CID 114759474
6,7-diethoxy-1H-quinazoline-4-thione
CID 106505559
3-bromo-6-butyl-1H-quinolin-4-one
CID 114759349
ethyl 7-bromo-6-(4-bromophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 102284658
6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667984
ethyl 7-bromo-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 102284659

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-diethoxy-1H-quinolin-4-one?
The IUPAC name of 3-bromo-6,7-diethoxy-1H-quinolin-4-one (CID 114759296) is 3-bromo-6,7-diethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-6,7-diethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-6,7-diethoxy-1H-quinolin-4-one is CCOc1cc2[nH]cc(Br)c(=O)c2cc1OCC.
What is the InChIKey of 3-bromo-6,7-diethoxy-1H-quinolin-4-one?
The InChIKey is YDDBDYUMXSLLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-3-17-11-5-8-10(6-12(11)18-4-2)15-7-9(14)13(8)16/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-6,7-diethoxy-1H-quinolin-4-one?
3-bromo-6,7-diethoxy-1H-quinolin-4-one has a molecular weight of 312.16 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-diethoxy-1H-quinolin-4-one is sourced from PubChem (CID 114759296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).