1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea

C23H17N5O — CID 10499931

IUPAC1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H17N5O/c29-23(24-16-9-3-1-4-10-16)26-22-21-19(18-13-7-8-14-20(18)25-22)15-28(27-21)17-11-5-2-6-12-17/h1-15H,(H2,24,25,26,29)
InChIKeyQCQJNNNQFHHHJO-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.22
Rot. Bonds3

About 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea

1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea (PubChem CID 10499931) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea
PubChem CID10499931
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C23H17N5O/c29-23(24-16-9-3-1-4-10-16)26-22-21-19(18-13-7-8-14-20(18)25-22)15-28(27-21)17-11-5-2-6-12-17/h1-15H,(H2,24,25,26,29)
InChIKeyQCQJNNNQFHHHJO-UHFFFAOYSA-N
XLogP5.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea?
The IUPAC name of 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea (CID 10499931) is 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea is O=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12.
What is the InChIKey of 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea?
The InChIKey is QCQJNNNQFHHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c29-23(24-16-9-3-1-4-10-16)26-22-21-19(18-13-7-8-14-20(18)25-22)15-28(27-21)17-11-5-2-6-12-17/h1-15H,(H2,24,25,26,29).
What are the key properties of 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea?
1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea has a molecular weight of 379.42 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)urea is sourced from PubChem (CID 10499931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).