(3,5-dibromophenyl)-isoquinolin-4-ylmethanone

C16H9Br2NO — CID 107976832

IUPAC(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1cncc2ccccc12
InChIInChI=1S/C16H9Br2NO/c17-12-5-11(6-13(18)7-12)16(20)15-9-19-8-10-3-1-2-4-14(10)15/h1-9H
InChIKeyIKSXIPGLISOPEW-UHFFFAOYSA-N
MW391.06 g/mol
LogP4.99
Rot. Bonds2

About (3,5-dibromophenyl)-isoquinolin-4-ylmethanone

(3,5-dibromophenyl)-isoquinolin-4-ylmethanone (PubChem CID 107976832) has the molecular formula C16H9Br2NO and a molecular weight of 391.06 g/mol. Its IUPAC name is (3,5-dibromophenyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
PubChem CID107976832
Molecular FormulaC16H9Br2NO
Molecular Weight391.06 g/mol
Exact Mass388.91
IUPAC Name(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1cncc2ccccc12
InChIInChI=1S/C16H9Br2NO/c17-12-5-11(6-13(18)7-12)16(20)15-9-19-8-10-3-1-2-4-14(10)15/h1-9H
InChIKeyIKSXIPGLISOPEW-UHFFFAOYSA-N
XLogP4.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-isoquinolin-4-ylmethanone
CID 114329672
(4-bromo-3-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971892
(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone
CID 114971956
(4-amino-3,5-dichlorophenyl)-isoquinolin-4-ylmethanone
CID 116609827
isoquinolin-4-yl-(4-methylsulfanylphenyl)methanone
CID 114971965
isoquinolin-4-yl(pyrimidin-2-yl)methanone
CID 63939192
2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone
CID 116612971
(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
CID 114885354
isoquinolin-4-yl(pyridin-2-yl)methanone
CID 63940731
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971945
(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone
CID 116605172

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (3,5-dibromophenyl)-isoquinolin-4-ylmethanone (CID 107976832) is (3,5-dibromophenyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (3,5-dibromophenyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (3,5-dibromophenyl)-isoquinolin-4-ylmethanone is O=C(c1cc(Br)cc(Br)c1)c1cncc2ccccc12.
What is the InChIKey of (3,5-dibromophenyl)-isoquinolin-4-ylmethanone?
The InChIKey is IKSXIPGLISOPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2NO/c17-12-5-11(6-13(18)7-12)16(20)15-9-19-8-10-3-1-2-4-14(10)15/h1-9H.
What are the key properties of (3,5-dibromophenyl)-isoquinolin-4-ylmethanone?
(3,5-dibromophenyl)-isoquinolin-4-ylmethanone has a molecular weight of 391.06 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 107976832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).