6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one

C16H11BrClNO2 — CID 107949673

IUPAC6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)c3cc(Cl)cc(Br)c3)ccc2N1
InChIInChI=1S/C16H11BrClNO2/c17-12-6-11(7-13(18)8-12)16(21)10-1-3-14-9(5-10)2-4-15(20)19-14/h1,3,5-8H,2,4H2,(H,19,20)
InChIKeyKJUHQSZGIQBVCK-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.22
Rot. Bonds2

About 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107949673) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID107949673
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)c3cc(Cl)cc(Br)c3)ccc2N1
InChIInChI=1S/C16H11BrClNO2/c17-12-6-11(7-13(18)8-12)16(21)10-1-3-14-9(5-10)2-4-15(20)19-14/h1,3,5-8H,2,4H2,(H,19,20)
InChIKeyKJUHQSZGIQBVCK-UHFFFAOYSA-N
XLogP4.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188
6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 115937318
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
CID 107957051
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one (CID 107949673) is 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)c3cc(Cl)cc(Br)c3)ccc2N1.
What is the InChIKey of 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KJUHQSZGIQBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c17-12-6-11(7-13(18)8-12)16(21)10-1-3-14-9(5-10)2-4-15(20)19-14/h1,3,5-8H,2,4H2,(H,19,20).
What are the key properties of 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 364.63 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107949673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).