2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one

C23H16ClN3O2 — CID 10250487

IUPAC2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(OCc4ccccc4)cc3c2[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O2/c24-16-6-8-17(9-7-16)27-23(28)20-13-25-21-11-10-18(12-19(21)22(20)26-27)29-14-15-4-2-1-3-5-15/h1-13,26H,14H2
InChIKeyYVTZMZONPJVKRQ-UHFFFAOYSA-N
MW401.85 g/mol
LogP5.10
Rot. Bonds4

About 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10250487) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10250487
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(OCc4ccccc4)cc3c2[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O2/c24-16-6-8-17(9-7-16)27-23(28)20-13-25-21-11-10-18(12-19(21)22(20)26-27)29-14-15-4-2-1-3-5-15/h1-13,26H,14H2
InChIKeyYVTZMZONPJVKRQ-UHFFFAOYSA-N
XLogP5.10
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10250487) is 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccc(OCc4ccccc4)cc3c2[nH]n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is YVTZMZONPJVKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c24-16-6-8-17(9-7-16)27-23(28)20-13-25-21-11-10-18(12-19(21)22(20)26-27)29-14-15-4-2-1-3-5-15/h1-13,26H,14H2.
What are the key properties of 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 401.85 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10250487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).