(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone

C16H9BrClNO — CID 114971956

IUPAC(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1ccc(Br)c(Cl)c1)c1cncc2ccccc12
InChIInChI=1S/C16H9BrClNO/c17-14-6-5-10(7-15(14)18)16(20)13-9-19-8-11-3-1-2-4-12(11)13/h1-9H
InChIKeyATXQTIMKUNBSLQ-UHFFFAOYSA-N
MW346.61 g/mol
LogP4.88
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone

(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone (PubChem CID 114971956) has the molecular formula C16H9BrClNO and a molecular weight of 346.61 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone
PubChem CID114971956
Molecular FormulaC16H9BrClNO
Molecular Weight346.61 g/mol
Exact Mass344.96
IUPAC Name(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1ccc(Br)c(Cl)c1)c1cncc2ccccc12
InChIInChI=1S/C16H9BrClNO/c17-14-6-5-10(7-15(14)18)16(20)13-9-19-8-11-3-1-2-4-12(11)13/h1-9H
InChIKeyATXQTIMKUNBSLQ-UHFFFAOYSA-N
XLogP4.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971892
(4-amino-3,5-dichlorophenyl)-isoquinolin-4-ylmethanone
CID 116609827
(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
CID 107976832
(4-bromo-3,5-dimethylphenyl)-isoquinolin-4-ylmethanone
CID 114329672
2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone
CID 116612971
isoquinolin-4-yl-(4-methylsulfanylphenyl)methanone
CID 114971965
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
CID 114885354
isoquinolin-4-yl(pyrimidin-2-yl)methanone
CID 63939192
(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
CID 115790550
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
CID 82779875
2-(3,4-dichlorophenyl)-1-isoquinolin-4-ylethanone
CID 63940735

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone (CID 114971956) is (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone is O=C(c1ccc(Br)c(Cl)c1)c1cncc2ccccc12.
What is the InChIKey of (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone?
The InChIKey is ATXQTIMKUNBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO/c17-14-6-5-10(7-15(14)18)16(20)13-9-19-8-11-3-1-2-4-12(11)13/h1-9H.
What are the key properties of (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone?
(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone has a molecular weight of 346.61 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 114971956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).