2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine

C24H20N4 — CID 10522801

IUPAC2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESc1ccc(CCNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C24H20N4/c1-3-9-18(10-4-1)15-16-25-24-23-21(20-13-7-8-14-22(20)26-24)17-28(27-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,25,26)
InChIKeyCYSDHZJPDQKSJB-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.23
Rot. Bonds5

About 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine

2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 10522801) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID10522801
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESc1ccc(CCNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C24H20N4/c1-3-9-18(10-4-1)15-16-25-24-23-21(20-13-7-8-14-22(20)26-24)17-28(27-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,25,26)
InChIKeyCYSDHZJPDQKSJB-UHFFFAOYSA-N
XLogP5.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine (CID 10522801) is 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine is c1ccc(CCNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1.
What is the InChIKey of 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is CYSDHZJPDQKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-3-9-18(10-4-1)15-16-25-24-23-21(20-13-7-8-14-22(20)26-24)17-28(27-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,25,26).
What are the key properties of 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 10522801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).