2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide

C30H22N4O — CID 23643659

IUPAC2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22N4O/c35-30(27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)32-29-28-25(24-18-10-11-19-26(24)31-29)20-34(33-28)23-16-8-3-9-17-23/h1-20,27H,(H,31,32,35)
InChIKeyUWPDTDVAOYNNDB-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.34
Rot. Bonds5

About 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide

2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide (PubChem CID 23643659) has the molecular formula C30H22N4O and a molecular weight of 454.53 g/mol. Its IUPAC name is 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
PubChem CID23643659
Molecular FormulaC30H22N4O
Molecular Weight454.53 g/mol
Exact Mass454.18
IUPAC Name2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22N4O/c35-30(27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)32-29-28-25(24-18-10-11-19-26(24)31-29)20-34(33-28)23-16-8-3-9-17-23/h1-20,27H,(H,31,32,35)
InChIKeyUWPDTDVAOYNNDB-UHFFFAOYSA-N
XLogP6.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The IUPAC name of 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide (CID 23643659) is 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide.
What is the SMILES notation for 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The canonical SMILES for 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide is O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The InChIKey is UWPDTDVAOYNNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O/c35-30(27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)32-29-28-25(24-18-10-11-19-26(24)31-29)20-34(33-28)23-16-8-3-9-17-23/h1-20,27H,(H,31,32,35).
What are the key properties of 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide has a molecular weight of 454.53 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide is sourced from PubChem (CID 23643659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).