8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline

C22H14BrN3 — CID 20852418

IUPAC8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline
SMILESBrc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C22H14BrN3/c23-16-11-12-20-18(13-16)22-19(14-24-20)21(15-7-3-1-4-8-15)25-26(22)17-9-5-2-6-10-17/h1-14H
InChIKeyPIYHGQWWMWTNDV-UHFFFAOYSA-N
MW400.28 g/mol
LogP6.00
Rot. Bonds2

About 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline

8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline (PubChem CID 20852418) has the molecular formula C22H14BrN3 and a molecular weight of 400.28 g/mol. Its IUPAC name is 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline
PubChem CID20852418
Molecular FormulaC22H14BrN3
Molecular Weight400.28 g/mol
Exact Mass399.04
IUPAC Name8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline
SMILESBrc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C22H14BrN3/c23-16-11-12-20-18(13-16)22-19(14-24-20)21(15-7-3-1-4-8-15)25-26(22)17-9-5-2-6-10-17/h1-14H
InChIKeyPIYHGQWWMWTNDV-UHFFFAOYSA-N
XLogP6.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline (CID 20852418) is 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline is Brc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1.
What is the InChIKey of 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline?
The InChIKey is PIYHGQWWMWTNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN3/c23-16-11-12-20-18(13-16)22-19(14-24-20)21(15-7-3-1-4-8-15)25-26(22)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline?
8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline has a molecular weight of 400.28 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).