6-(2-bromophenyl)indazolo[3,2-a]isoquinoline

C21H13BrN2 — CID 176549512

IUPAC6-(2-bromophenyl)indazolo[3,2-a]isoquinoline
SMILESBrc1ccccc1-c1cc2ccccc2c2c3ccccc3nn12
InChIInChI=1S/C21H13BrN2/c22-18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21-17-10-4-6-12-19(17)23-24(20)21/h1-13H
InChIKeyNMEPMBIBPFKTGB-UHFFFAOYSA-N
MW373.25 g/mol
LogP6.07
Rot. Bonds1

About 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline

6-(2-bromophenyl)indazolo[3,2-a]isoquinoline (PubChem CID 176549512) has the molecular formula C21H13BrN2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name6-(2-bromophenyl)indazolo[3,2-a]isoquinoline
PubChem CID176549512
Molecular FormulaC21H13BrN2
Molecular Weight373.25 g/mol
Exact Mass372.03
IUPAC Name6-(2-bromophenyl)indazolo[3,2-a]isoquinoline
SMILESBrc1ccccc1-c1cc2ccccc2c2c3ccccc3nn12
InChIInChI=1S/C21H13BrN2/c22-18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21-17-10-4-6-12-19(17)23-24(20)21/h1-13H
InChIKeyNMEPMBIBPFKTGB-UHFFFAOYSA-N
XLogP6.07
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline?
The IUPAC name of 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline (CID 176549512) is 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline.
What is the SMILES notation for 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline?
The canonical SMILES for 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline is Brc1ccccc1-c1cc2ccccc2c2c3ccccc3nn12.
What is the InChIKey of 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline?
The InChIKey is NMEPMBIBPFKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2/c22-18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21-17-10-4-6-12-19(17)23-24(20)21/h1-13H.
What are the key properties of 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline?
6-(2-bromophenyl)indazolo[3,2-a]isoquinoline has a molecular weight of 373.25 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)indazolo[3,2-a]isoquinoline is sourced from PubChem (CID 176549512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).