8-bromo-1-methyl-3,4-diphenylisoquinoline

C22H16BrN — CID 138975285

IUPAC8-bromo-1-methyl-3,4-diphenylisoquinoline
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c2cccc(Br)c12
InChIInChI=1S/C22H16BrN/c1-15-20-18(13-8-14-19(20)23)21(16-9-4-2-5-10-16)22(24-15)17-11-6-3-7-12-17/h2-14H,1H3
InChIKeyGLBHROUUROARIY-UHFFFAOYSA-N
MW374.28 g/mol
LogP6.64
Rot. Bonds2

About 8-bromo-1-methyl-3,4-diphenylisoquinoline

8-bromo-1-methyl-3,4-diphenylisoquinoline (PubChem CID 138975285) has the molecular formula C22H16BrN and a molecular weight of 374.28 g/mol. Its IUPAC name is 8-bromo-1-methyl-3,4-diphenylisoquinoline.

Molecular Properties

Compound Name8-bromo-1-methyl-3,4-diphenylisoquinoline
PubChem CID138975285
Molecular FormulaC22H16BrN
Molecular Weight374.28 g/mol
Exact Mass373.05
IUPAC Name8-bromo-1-methyl-3,4-diphenylisoquinoline
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c2cccc(Br)c12
InChIInChI=1S/C22H16BrN/c1-15-20-18(13-8-14-19(20)23)21(16-9-4-2-5-10-16)22(24-15)17-11-6-3-7-12-17/h2-14H,1H3
InChIKeyGLBHROUUROARIY-UHFFFAOYSA-N
XLogP6.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1,4-dimethyl-3-phenylisoquinoline
CID 175418789
4-bromo-2,6-dimethyl-3,5-diphenylpyridine
CID 134973959
8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
CID 122424753
1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol
CID 136677880
azane;3-(4-bromophenyl)-1,4-dimethylisoquinoline
CID 175418781
4-methoxy-2-phenyl-3-pyridin-4-ylquinoline
CID 139651635
4,5-dibromo-1-phenylnaphthalene
CID 155350544
2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 102532372
4-ethyl-1-methyl-3-phenylisoquinoline
CID 44606951
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
CID 59007781
6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine
CID 135022048
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-methyl-3,4-diphenylisoquinoline?
The IUPAC name of 8-bromo-1-methyl-3,4-diphenylisoquinoline (CID 138975285) is 8-bromo-1-methyl-3,4-diphenylisoquinoline.
What is the SMILES notation for 8-bromo-1-methyl-3,4-diphenylisoquinoline?
The canonical SMILES for 8-bromo-1-methyl-3,4-diphenylisoquinoline is Cc1nc(-c2ccccc2)c(-c2ccccc2)c2cccc(Br)c12.
What is the InChIKey of 8-bromo-1-methyl-3,4-diphenylisoquinoline?
The InChIKey is GLBHROUUROARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN/c1-15-20-18(13-8-14-19(20)23)21(16-9-4-2-5-10-16)22(24-15)17-11-6-3-7-12-17/h2-14H,1H3.
What are the key properties of 8-bromo-1-methyl-3,4-diphenylisoquinoline?
8-bromo-1-methyl-3,4-diphenylisoquinoline has a molecular weight of 374.28 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-methyl-3,4-diphenylisoquinoline is sourced from PubChem (CID 138975285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).