(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone

C17H12BrNO — CID 103133974

IUPAC(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone
SMILESCc1ccc(Br)cc1C(=O)c1cccc2ccncc12
InChIInChI=1S/C17H12BrNO/c1-11-5-6-13(18)9-15(11)17(20)14-4-2-3-12-7-8-19-10-16(12)14/h2-10H,1H3
InChIKeySVHGSYBGZVZRCJ-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.54
Rot. Bonds2

About (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone

(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone (PubChem CID 103133974) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone
PubChem CID103133974
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC Name(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone
SMILESCc1ccc(Br)cc1C(=O)c1cccc2ccncc12
InChIInChI=1S/C17H12BrNO/c1-11-5-6-13(18)9-15(11)17(20)14-4-2-3-12-7-8-19-10-16(12)14/h2-10H,1H3
InChIKeySVHGSYBGZVZRCJ-UHFFFAOYSA-N
XLogP4.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanone
CID 103133962
(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
CID 103134060
(2-bromo-4-chlorophenyl)-isoquinolin-8-ylmethanone
CID 107996871
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
CID 107944438
(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103133497
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
isoquinoline-8-carboxylate
CID 86306452
(2-amino-3-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 107469085
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone?
The IUPAC name of (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone (CID 103133974) is (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone is Cc1ccc(Br)cc1C(=O)c1cccc2ccncc12.
What is the InChIKey of (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone?
The InChIKey is SVHGSYBGZVZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO/c1-11-5-6-13(18)9-15(11)17(20)14-4-2-3-12-7-8-19-10-16(12)14/h2-10H,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone?
(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone has a molecular weight of 326.19 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone is sourced from PubChem (CID 103133974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).