6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one

C15H10BrClFNO — CID 137373624

IUPAC6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(Br)cc2CCN1c1cc(F)ccc1Cl
InChIInChI=1S/C15H10BrClFNO/c16-10-1-3-12-9(7-10)5-6-19(15(12)20)14-8-11(18)2-4-13(14)17/h1-4,7-8H,5-6H2
InChIKeyURCGGKRHOSFTRR-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.44
Rot. Bonds1

About 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one

6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 137373624) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one
PubChem CID137373624
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(Br)cc2CCN1c1cc(F)ccc1Cl
InChIInChI=1S/C15H10BrClFNO/c16-10-1-3-12-9(7-10)5-6-19(15(12)20)14-8-11(18)2-4-13(14)17/h1-4,7-8H,5-6H2
InChIKeyURCGGKRHOSFTRR-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 2125517
CID 2125517
4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide
CID 4168597
4-(4-Bromobenzoyl)-1-(2-chlorophenyl)-3-methylpiperazin-2-one
CID 46036243
2-(4-Bromophenyl)-3,4-dihydroisoquinolin-1-one
CID 57916889
2-(3-chlorophenyl)-3,4-dihydroisoquinolin-1(2H)-one
CID 76281088
2-(4-Chlorophenyl)-3,4-dihydroisoquinolin-1-one
CID 141417787
1-(5-Bromo-2-chlorobenzoyl)-4-(4-fluorophenyl)piperazine
CID 2203709
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17461691
7-bromo-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1(2H)-one
CID 59375138
(6-Bromo-3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 90078098
(6-bromo-3,4-dihydroquinolin-1(2H)-yl)(2-chloro-6-fluorophenyl)methanone
CID 90078144
(6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 152912620

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one (CID 137373624) is 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(Br)cc2CCN1c1cc(F)ccc1Cl.
What is the InChIKey of 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is URCGGKRHOSFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-10-1-3-12-9(7-10)5-6-19(15(12)20)14-8-11(18)2-4-13(14)17/h1-4,7-8H,5-6H2.
What are the key properties of 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one?
6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 354.61 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloro-5-fluorophenyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 137373624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).