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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
CID 8721626
1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852536
3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
CID 20852861
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
CID 20852398
1-(4-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852477
1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
3-(4-bromo-3-chlorophenyl)-8-methoxy-1-phenylpyrazolo[4,3-c]quinoline
CID 171775671
3-(3-fluorophenyl)-5-phenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
CID 20852489
1-(3-chloro-4-methylphenyl)-8-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20852727
ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852512
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396

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).