(2,4-dibromophenyl)-isoquinolin-5-ylmethanone

C16H9Br2NO — CID 107944438

IUPAC(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
SMILESO=C(c1ccc(Br)cc1Br)c1cccc2cnccc12
InChIInChI=1S/C16H9Br2NO/c17-11-4-5-14(15(18)8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9H
InChIKeyUUHUUEZQHCANOX-UHFFFAOYSA-N
MW391.06 g/mol
LogP4.99
Rot. Bonds2

About (2,4-dibromophenyl)-isoquinolin-5-ylmethanone

(2,4-dibromophenyl)-isoquinolin-5-ylmethanone (PubChem CID 107944438) has the molecular formula C16H9Br2NO and a molecular weight of 391.06 g/mol. Its IUPAC name is (2,4-dibromophenyl)-isoquinolin-5-ylmethanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
PubChem CID107944438
Molecular FormulaC16H9Br2NO
Molecular Weight391.06 g/mol
Exact Mass388.91
IUPAC Name(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
SMILESO=C(c1ccc(Br)cc1Br)c1cccc2cnccc12
InChIInChI=1S/C16H9Br2NO/c17-11-4-5-14(15(18)8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9H
InChIKeyUUHUUEZQHCANOX-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

(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
(2-bromo-4-chlorophenyl)-isoquinolin-8-ylmethanone
CID 107996871
(5-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanone
CID 103133962
(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
CID 103134060
(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone
CID 103133974
(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039
(3-bromo-4-methoxyphenyl)-isoquinolin-5-ylmethanone
CID 114971003
[4-[(1S)-1-aminoethyl]-2-methylphenyl]-isoquinolin-5-ylmethanone;hydrochloride
CID 129114071
isoquinolin-5-yl-(2-methylsulfanylphenyl)methanone
CID 114970947
(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 114970995

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-isoquinolin-5-ylmethanone?
The IUPAC name of (2,4-dibromophenyl)-isoquinolin-5-ylmethanone (CID 107944438) is (2,4-dibromophenyl)-isoquinolin-5-ylmethanone.
What is the SMILES notation for (2,4-dibromophenyl)-isoquinolin-5-ylmethanone?
The canonical SMILES for (2,4-dibromophenyl)-isoquinolin-5-ylmethanone is O=C(c1ccc(Br)cc1Br)c1cccc2cnccc12.
What is the InChIKey of (2,4-dibromophenyl)-isoquinolin-5-ylmethanone?
The InChIKey is UUHUUEZQHCANOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2NO/c17-11-4-5-14(15(18)8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9H.
What are the key properties of (2,4-dibromophenyl)-isoquinolin-5-ylmethanone?
(2,4-dibromophenyl)-isoquinolin-5-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 (2,4-dibromophenyl)-isoquinolin-5-ylmethanone is sourced from PubChem (CID 107944438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).