2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine

C23H18N4O — CID 53258079

IUPAC2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2c(OCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H18N4O/c24-23-22-19(14-27(26-22)17-10-5-2-6-11-17)18-12-7-13-20(21(18)25-23)28-15-16-8-3-1-4-9-16/h1-14H,15H2,(H2,24,25)
InChIKeyRYTYWUAOLYDWNV-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.73
Rot. Bonds4

About 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine

2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine (PubChem CID 53258079) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine
PubChem CID53258079
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2c(OCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H18N4O/c24-23-22-19(14-27(26-22)17-10-5-2-6-11-17)18-12-7-13-20(21(18)25-23)28-15-16-8-3-1-4-9-16/h1-14H,15H2,(H2,24,25)
InChIKeyRYTYWUAOLYDWNV-UHFFFAOYSA-N
XLogP4.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine (CID 53258079) is 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine is Nc1nc2c(OCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is RYTYWUAOLYDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c24-23-22-19(14-27(26-22)17-10-5-2-6-11-17)18-12-7-13-20(21(18)25-23)28-15-16-8-3-1-4-9-16/h1-14H,15H2,(H2,24,25).
What are the key properties of 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine?
2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 53258079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).