2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline

C29H21N3O — CID 132918864

IUPAC2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
SMILESCOc1ccc(-n2nc3c(-c4ccccc4)nc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C29H21N3O/c1-33-23-18-16-22(17-19-23)32-29(21-12-6-3-7-13-21)26-24-14-8-9-15-25(24)30-27(28(26)31-32)20-10-4-2-5-11-20/h2-19H,1H3
InChIKeyLILBGCGRMMACBX-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.92
Rot. Bonds4

About 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline

2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline (PubChem CID 132918864) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
PubChem CID132918864
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
SMILESCOc1ccc(-n2nc3c(-c4ccccc4)nc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C29H21N3O/c1-33-23-18-16-22(17-19-23)32-29(21-12-6-3-7-13-21)26-24-14-8-9-15-25(24)30-27(28(26)31-32)20-10-4-2-5-11-20/h2-19H,1H3
InChIKeyLILBGCGRMMACBX-UHFFFAOYSA-N
XLogP6.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline?
The IUPAC name of 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline (CID 132918864) is 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline is COc1ccc(-n2nc3c(-c4ccccc4)nc4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline?
The InChIKey is LILBGCGRMMACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-33-23-18-16-22(17-19-23)32-29(21-12-6-3-7-13-21)26-24-14-8-9-15-25(24)30-27(28(26)31-32)20-10-4-2-5-11-20/h2-19H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline?
2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline has a molecular weight of 427.51 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline is sourced from PubChem (CID 132918864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).