2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone

C17H11BrClNO — CID 125472511

IUPAC2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone
SMILESO=C(CBr)c1cnc2c(-c3ccccc3)cccc2c1Cl
InChIInChI=1S/C17H11BrClNO/c18-9-15(21)14-10-20-17-12(11-5-2-1-3-6-11)7-4-8-13(17)16(14)19/h1-8,10H,9H2
InChIKeyFALPDXUBXPJWBK-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.13
Rot. Bonds3

About 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone

2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone (PubChem CID 125472511) has the molecular formula C17H11BrClNO and a molecular weight of 360.64 g/mol. Its IUPAC name is 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone
PubChem CID125472511
Molecular FormulaC17H11BrClNO
Molecular Weight360.64 g/mol
Exact Mass358.97
IUPAC Name2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone
SMILESO=C(CBr)c1cnc2c(-c3ccccc3)cccc2c1Cl
InChIInChI=1S/C17H11BrClNO/c18-9-15(21)14-10-20-17-12(11-5-2-1-3-6-11)7-4-8-13(17)16(14)19/h1-8,10H,9H2
InChIKeyFALPDXUBXPJWBK-UHFFFAOYSA-N
XLogP5.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
4-chloro-8-phenylquinolin-3-amine
CID 102614156
8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 142605167
2-bromo-1-[4-[5-(2-bromoacetyl)naphthalen-1-yl]phenyl]ethanone;hydrobromide
CID 172804870
4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
CID 175541558
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
4-chloro-8-fluoro-N-(methoxymethyl)quinoline-3-carboxamide
CID 67511384
2-bromo-1-(8-fluoroquinolin-4-yl)ethanone;1-(8-fluoroquinolin-4-yl)ethanone
CID 159465796
4-chloro-2-ethyl-3-methyl-8-phenylquinoline
CID 63561680

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone (CID 125472511) is 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone is O=C(CBr)c1cnc2c(-c3ccccc3)cccc2c1Cl.
What is the InChIKey of 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone?
The InChIKey is FALPDXUBXPJWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO/c18-9-15(21)14-10-20-17-12(11-5-2-1-3-6-11)7-4-8-13(17)16(14)19/h1-8,10H,9H2.
What are the key properties of 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone?
2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone has a molecular weight of 360.64 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone is sourced from PubChem (CID 125472511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).