1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone

C11H10BrCl2NO — CID 82490299

IUPAC1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C11H10BrCl2NO/c12-9-5-8(14)4-7-2-1-3-15(11(7)9)10(16)6-13/h4-5H,1-3,6H2
InChIKeyXLADSZCEOQAVGH-UHFFFAOYSA-N
MW323.02 g/mol
LogP3.62
Rot. Bonds1

About 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone

1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone (PubChem CID 82490299) has the molecular formula C11H10BrCl2NO and a molecular weight of 323.02 g/mol. Its IUPAC name is 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone
PubChem CID82490299
Molecular FormulaC11H10BrCl2NO
Molecular Weight323.02 g/mol
Exact Mass320.93
IUPAC Name1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C11H10BrCl2NO/c12-9-5-8(14)4-7-2-1-3-15(11(7)9)10(16)6-13/h4-5H,1-3,6H2
InChIKeyXLADSZCEOQAVGH-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.02
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82490244
2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
CID 82489732
1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82483276
1-(7-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
CID 166407068
tert-butyl 3-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxylate
CID 170428843
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
CID 166404156
1-[6-bromo-7-(chloromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 43164780
1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167804593
1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline
CID 164871940
N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide
CID 24877939
tert-butyl 7-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-5-azaspiro[3.4]octane-5-carboxylate
CID 164871284

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone?
The IUPAC name of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone (CID 82490299) is 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone.
What is the SMILES notation for 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone?
The canonical SMILES for 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone is O=C(CCl)N1CCCc2cc(Cl)cc(Br)c21.
What is the InChIKey of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone?
The InChIKey is XLADSZCEOQAVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NO/c12-9-5-8(14)4-7-2-1-3-15(11(7)9)10(16)6-13/h4-5H,1-3,6H2.
What are the key properties of 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone?
1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone has a molecular weight of 323.02 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone is sourced from PubChem (CID 82490299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).