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

C22H16BrN — CID 102264459

IUPAC6-bromo-1-methyl-3,4-diphenylisoquinoline
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C22H16BrN/c1-15-19-13-12-18(23)14-20(19)21(16-8-4-2-5-9-16)22(24-15)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyYCBYADGROGMDLZ-UHFFFAOYSA-N
MW374.28 g/mol
LogP6.64
Rot. Bonds2

About 6-bromo-1-methyl-3,4-diphenylisoquinoline

6-bromo-1-methyl-3,4-diphenylisoquinoline (PubChem CID 102264459) has the molecular formula C22H16BrN and a molecular weight of 374.28 g/mol. Its IUPAC name is 6-bromo-1-methyl-3,4-diphenylisoquinoline.

Molecular Properties

Compound Name6-bromo-1-methyl-3,4-diphenylisoquinoline
PubChem CID102264459
Molecular FormulaC22H16BrN
Molecular Weight374.28 g/mol
Exact Mass373.05
IUPAC Name6-bromo-1-methyl-3,4-diphenylisoquinoline
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C22H16BrN/c1-15-19-13-12-18(23)14-20(19)21(16-8-4-2-5-9-16)22(24-15)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyYCBYADGROGMDLZ-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

9-Bromoacridine
CID 15588290
(6-Bromo-2-isobutyl-4-phenylquinolin-3-yl)methylamine
CID 68832119
2-(4-Bromophenyl)quinoline
CID 1473444
6-Bromo-3-(cyclohexen-1-yl)-2-methylquinoline
CID 127051650
2-Bromo-6-phenylphenanthridine
CID 242399
2-[(E)-2-(4-bromophenyl)ethenyl]quinoline
CID 5463291
6-Bromo-2,4-diphenylquinoline
CID 632251
2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
6-Bromo-1-methylisoquinoline
CID 74889121
6-Bromo-2-(4-methylphenyl)-4-phenylquinoline
CID 1913800
4-(6-Bromo-4-phenylquinolin-2-yl)benzonitrile
CID 39860393
6-Bromo-2-(4-fluorophenyl)-4-phenylquinoline
CID 132547244

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3,4-diphenylisoquinoline?
The IUPAC name of 6-bromo-1-methyl-3,4-diphenylisoquinoline (CID 102264459) is 6-bromo-1-methyl-3,4-diphenylisoquinoline.
What is the SMILES notation for 6-bromo-1-methyl-3,4-diphenylisoquinoline?
The canonical SMILES for 6-bromo-1-methyl-3,4-diphenylisoquinoline is Cc1nc(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-methyl-3,4-diphenylisoquinoline?
The InChIKey is YCBYADGROGMDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN/c1-15-19-13-12-18(23)14-20(19)21(16-8-4-2-5-9-16)22(24-15)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of 6-bromo-1-methyl-3,4-diphenylisoquinoline?
6-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 6-bromo-1-methyl-3,4-diphenylisoquinoline is sourced from PubChem (CID 102264459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).