1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline

C22H14ClN3 — CID 20852398

IUPAC1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
SMILESClc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1
InChIInChI=1S/C22H14ClN3/c23-16-10-12-17(13-11-16)26-22-18-8-4-5-9-20(18)24-14-19(22)21(25-26)15-6-2-1-3-7-15/h1-14H
InChIKeyDURMHJOUFORNCJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.89
Rot. Bonds2

About 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline

1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline (PubChem CID 20852398) has the molecular formula C22H14ClN3 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
PubChem CID20852398
Molecular FormulaC22H14ClN3
Molecular Weight355.83 g/mol
Exact Mass355.09
IUPAC Name1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
SMILESClc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1
InChIInChI=1S/C22H14ClN3/c23-16-10-12-17(13-11-16)26-22-18-8-4-5-9-20(18)24-14-19(22)21(25-26)15-6-2-1-3-7-15/h1-14H
InChIKeyDURMHJOUFORNCJ-UHFFFAOYSA-N
XLogP5.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
The IUPAC name of 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline (CID 20852398) is 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline is Clc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
The InChIKey is DURMHJOUFORNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3/c23-16-10-12-17(13-11-16)26-22-18-8-4-5-9-20(18)24-14-19(22)21(25-26)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline has a molecular weight of 355.83 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenylpyrazolo[4,5-c]quinoline is sourced from PubChem (CID 20852398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).