3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one

C15H12BrN3O — CID 15091340

IUPAC3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one
SMILESCCn1nc(Br)c(=O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C15H12BrN3O/c1-2-19-13-9-11(10-5-7-17-8-6-10)3-4-12(13)14(20)15(16)18-19/h3-9H,2H2,1H3
InChIKeyQEJIXEFHXYOZJP-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.24
Rot. Bonds2

About 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one

3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one (PubChem CID 15091340) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one.

Molecular Properties

Compound Name3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one
PubChem CID15091340
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one
SMILESCCn1nc(Br)c(=O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C15H12BrN3O/c1-2-19-13-9-11(10-5-7-17-8-6-10)3-4-12(13)14(20)15(16)18-19/h3-9H,2H2,1H3
InChIKeyQEJIXEFHXYOZJP-UHFFFAOYSA-N
XLogP3.24
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione
CID 10038659
ethyl 1-ethyl-2-methyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 10042633
2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
CID 20533850
2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide
CID 19959079
5-propyl-7-pyridin-4-yl-1H-pyrazolo[4,5-c]quinolin-4-one
CID 71537552
ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 11741701
1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine
CID 84730588
9-ethyl-1,3,6-tripyridin-4-ylcarbazole
CID 141362770
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
CID 70388183
1,3-dimethyl-5-[4-(10-pyridin-4-ylanthracen-9-yl)phenyl]benzimidazol-2-one
CID 167485431
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
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2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166911834

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one?
The IUPAC name of 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one (CID 15091340) is 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one.
What is the SMILES notation for 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one?
The canonical SMILES for 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one is CCn1nc(Br)c(=O)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one?
The InChIKey is QEJIXEFHXYOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-2-19-13-9-11(10-5-7-17-8-6-10)3-4-12(13)14(20)15(16)18-19/h3-9H,2H2,1H3.
What are the key properties of 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one?
3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one has a molecular weight of 330.19 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one is sourced from PubChem (CID 15091340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).