2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline

C91H60N11O2PS — CID 157280491

About 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline

2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline (PubChem CID 157280491) has the molecular formula C91H60N11O2PS and a molecular weight of 1402.60 g/mol. Its IUPAC name is 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline.

Molecular Properties

• Compound Name: 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline
• PubChem CID: 157280491
• Molecular Formula: C91H60N11O2PS
• Molecular Weight: 1402.60 g/mol
• Exact Mass: 1401.44
• IUPAC Name: 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4o3)nn12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4s3)nn12.c1ccc2ncc(-c3cc4ccc5ccccc5n4n3)cc2c1
• InChI: InChI=1S/C35H25N2OP.C20H13N3.C18H11N3O.C18H11N3S/c38-39(31-10-3-1-4-11-31,32-12-5-2-6-13-32)33-23-20-27(21-24-33)26-15-17-28(18-16-26)34-25-30-22-19-29-9-7-8-14-35(29)37(30)36-34;1-3-7-18-15(6-1)11-16(13-21-18)19-12-17-10-9-14-5-2-4-8-20(14)23(17)22-19;2*1-3-7-16-12(5-1)9-10-13-11-15(20-21(13)16)18-19-14-6-2-4-8-17(14)22-18/h1-25H;1-13H;2*1-11H
• InChIKey: AZPKQDBKBPDMNK-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 138.08 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.60
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline?

The IUPAC name of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline (CID 157280491) is 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline.

What is the SMILES notation for 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline?

The canonical SMILES for 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4o3)nn12.c1ccc2c(c1)ccc1cc(-c3nc4ccccc4s3)nn12.c1ccc2ncc(-c3cc4ccc5ccccc5n4n3)cc2c1.

What is the InChIKey of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline?

The InChIKey is AZPKQDBKBPDMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N2OP.C20H13N3.C18H11N3O.C18H11N3S/c38-39(31-10-3-1-4-11-31,32-12-5-2-6-13-32)33-23-20-27(21-24-33)26-15-17-28(18-16-26)34-25-30-22-19-29-9-7-8-14-35(29)37(30)36-34;1-3-7-18-15(6-1)11-16(13-21-18)19-12-17-10-9-14-5-2-4-8-20(14)23(17)22-19;2*1-3-7-16-12(5-1)9-10-13-11-15(20-21(13)16)18-19-14-6-2-4-8-17(14)22-18/h1-25H;1-13H;2*1-11H.

What are the key properties of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline?

2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline has a molecular weight of 1402.60 g/mol, XLogP of 21.22, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline is sourced from PubChem (CID 157280491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).