1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one

C18H13BrClNO2 — CID 86645872

IUPAC1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one
SMILESCC(C(=O)c1ccc(=O)n2ccccc12)c1ccc(Br)cc1Cl
InChIInChI=1S/C18H13BrClNO2/c1-11(13-6-5-12(19)10-15(13)20)18(23)14-7-8-17(22)21-9-3-2-4-16(14)21/h2-11H,1H3
InChIKeyZVADMTQRYIICJV-UHFFFAOYSA-N
MW390.66 g/mol
LogP4.70
Rot. Bonds3

About 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one

1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one (PubChem CID 86645872) has the molecular formula C18H13BrClNO2 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one.

Molecular Properties

Compound Name1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one
PubChem CID86645872
Molecular FormulaC18H13BrClNO2
Molecular Weight390.66 g/mol
Exact Mass388.98
IUPAC Name1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one
SMILESCC(C(=O)c1ccc(=O)n2ccccc12)c1ccc(Br)cc1Cl
InChIInChI=1S/C18H13BrClNO2/c1-11(13-6-5-12(19)10-15(13)20)18(23)14-7-8-17(22)21-9-3-2-4-16(14)21/h2-11H,1H3
InChIKeyZVADMTQRYIICJV-UHFFFAOYSA-N
XLogP4.70
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromo-2-chlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]quinolizin-4-one
CID 86645871
3-(4-bromo-2-chlorophenyl)-2-methylbutanoic acid
CID 130917890
7-[2-(4-bromo-2-chlorophenyl)propanoyl]-1-methylpyrido[2,3-b][1,4]oxazin-2-one
CID 67547614
2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 66699491
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
CID 82775621
2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
CID 84710830
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-3-methylbutanoic acid
CID 82773931
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377
(E)-1-(4-bromo-2-chlorophenyl)but-2-en-1-one
CID 146010856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one?
The IUPAC name of 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one (CID 86645872) is 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one.
What is the SMILES notation for 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one?
The canonical SMILES for 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one is CC(C(=O)c1ccc(=O)n2ccccc12)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one?
The InChIKey is ZVADMTQRYIICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO2/c1-11(13-6-5-12(19)10-15(13)20)18(23)14-7-8-17(22)21-9-3-2-4-16(14)21/h2-11H,1H3.
What are the key properties of 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one?
1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one has a molecular weight of 390.66 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-chlorophenyl)propanoyl]quinolizin-4-one is sourced from PubChem (CID 86645872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).