1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide

C17H13BrClNO — CID 173164108

IUPAC1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
SMILESBr.O=C(Cc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C17H12ClNO.BrH/c18-15-8-2-1-6-14(15)17(20)11-12-5-3-9-16-13(12)7-4-10-19-16;/h1-10H,11H2;1H
InChIKeyRIXLSXMGRVBQBM-UHFFFAOYSA-N
MW362.65 g/mol
LogP4.89
Rot. Bonds3

About 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide

1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide (PubChem CID 173164108) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
PubChem CID173164108
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
SMILESBr.O=C(Cc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C17H12ClNO.BrH/c18-15-8-2-1-6-14(15)17(20)11-12-5-3-9-16-13(12)7-4-10-19-16;/h1-10H,11H2;1H
InChIKeyRIXLSXMGRVBQBM-UHFFFAOYSA-N
XLogP4.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
CID 30397973
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
CID 105089800
3-quinolin-5-ylpropanoic acid
CID 81224223
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide?
The IUPAC name of 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide (CID 173164108) is 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide.
What is the SMILES notation for 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide?
The canonical SMILES for 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide is Br.O=C(Cc1cccc2ncccc12)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide?
The InChIKey is RIXLSXMGRVBQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO.BrH/c18-15-8-2-1-6-14(15)17(20)11-12-5-3-9-16-13(12)7-4-10-19-16;/h1-10H,11H2;1H.
What are the key properties of 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide?
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide has a molecular weight of 362.65 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide is sourced from PubChem (CID 173164108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).