4-bromo-3-phenylisoquinoline

C15H10BrN — CID 152778536

IUPAC4-bromo-3-phenylisoquinoline
SMILESBrc1c(-c2ccccc2)ncc2ccccc12
InChIInChI=1S/C15H10BrN/c16-14-13-9-5-4-8-12(13)10-17-15(14)11-6-2-1-3-7-11/h1-10H
InChIKeyZGTLHQPTSARDJE-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.66
Rot. Bonds1

About 4-bromo-3-phenylisoquinoline

4-bromo-3-phenylisoquinoline (PubChem CID 152778536) has the molecular formula C15H10BrN and a molecular weight of 284.16 g/mol. Its IUPAC name is 4-bromo-3-phenylisoquinoline.

Molecular Properties

Compound Name4-bromo-3-phenylisoquinoline
PubChem CID152778536
Molecular FormulaC15H10BrN
Molecular Weight284.16 g/mol
Exact Mass283.00
IUPAC Name4-bromo-3-phenylisoquinoline
SMILESBrc1c(-c2ccccc2)ncc2ccccc12
InChIInChI=1S/C15H10BrN/c16-14-13-9-5-4-8-12(13)10-17-15(14)11-6-2-1-3-7-11/h1-10H
InChIKeyZGTLHQPTSARDJE-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
1-phenylphthalazine
CID 609624
3-bromo-1-phenylisoquinoline
CID 126560362
1-bromo-2-phenylnaphthalene
CID 10956972
4-phenylisoquinolin-3-amine
CID 21162095
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
3-bromo-4-phenoxy-2-phenylquinoline
CID 164676381
3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
CID 122403203
3,4-bis(3-methoxyphenyl)isoquinoline
CID 177415076
carbanide;iridium;1-phenylisoquinoline
CID 166502152
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
4-phenylisoquinoline-3-carboxylic acid
CID 54415243

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-phenylisoquinoline?
The IUPAC name of 4-bromo-3-phenylisoquinoline (CID 152778536) is 4-bromo-3-phenylisoquinoline.
What is the SMILES notation for 4-bromo-3-phenylisoquinoline?
The canonical SMILES for 4-bromo-3-phenylisoquinoline is Brc1c(-c2ccccc2)ncc2ccccc12.
What is the InChIKey of 4-bromo-3-phenylisoquinoline?
The InChIKey is ZGTLHQPTSARDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN/c16-14-13-9-5-4-8-12(13)10-17-15(14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 4-bromo-3-phenylisoquinoline?
4-bromo-3-phenylisoquinoline has a molecular weight of 284.16 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-phenylisoquinoline is sourced from PubChem (CID 152778536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).