1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline

C23H16BrN3 — CID 20852536

IUPAC1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C23H16BrN3/c1-15-6-8-16(9-7-15)22-20-14-25-21-5-3-2-4-19(21)23(20)27(26-22)18-12-10-17(24)11-13-18/h2-14H,1H3
InChIKeyOXFKWRSAXOAXPZ-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.31
Rot. Bonds2

About 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline

1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline (PubChem CID 20852536) has the molecular formula C23H16BrN3 and a molecular weight of 414.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
PubChem CID20852536
Molecular FormulaC23H16BrN3
Molecular Weight414.31 g/mol
Exact Mass413.05
IUPAC Name1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C23H16BrN3/c1-15-6-8-16(9-7-15)22-20-14-25-21-5-3-2-4-19(21)23(20)27(26-22)18-12-10-17(24)11-13-18/h2-14H,1H3
InChIKeyOXFKWRSAXOAXPZ-UHFFFAOYSA-N
XLogP6.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline (CID 20852536) is 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline is Cc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2cnc2ccccc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is OXFKWRSAXOAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3/c1-15-6-8-16(9-7-15)22-20-14-25-21-5-3-2-4-19(21)23(20)27(26-22)18-12-10-17(24)11-13-18/h2-14H,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 414.31 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 20852536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).