3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline

C23H15ClFN3O — CID 53323855

IUPAC3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESFc1ccccc1-n1nc2c(cnc3ccccc32)c1OCc1ccccc1Cl
InChIInChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2
InChIKeyAAFXZNIGLSLXPH-UHFFFAOYSA-N
MW403.84 g/mol
LogP5.95
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline

3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 53323855) has the molecular formula C23H15ClFN3O and a molecular weight of 403.84 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID53323855
Molecular FormulaC23H15ClFN3O
Molecular Weight403.84 g/mol
Exact Mass403.09
IUPAC Name3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESFc1ccccc1-n1nc2c(cnc3ccccc32)c1OCc1ccccc1Cl
InChIInChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2
InChIKeyAAFXZNIGLSLXPH-UHFFFAOYSA-N
XLogP5.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 53323855) is 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline is Fc1ccccc1-n1nc2c(cnc3ccccc32)c1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is AAFXZNIGLSLXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline?
3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 403.84 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 53323855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).