1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline

C23H16FN3O — CID 20953337

IUPAC1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H16FN3O/c1-28-20-9-5-8-18-22(20)25-14-19-21(15-6-3-2-4-7-15)26-27(23(18)19)17-12-10-16(24)11-13-17/h2-14H,1H3
InChIKeyZBHJZZQONGLDPV-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.39
Rot. Bonds3

About 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline

1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20953337) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20953337
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H16FN3O/c1-28-20-9-5-8-18-22(20)25-14-19-21(15-6-3-2-4-7-15)26-27(23(18)19)17-12-10-16(24)11-13-17/h2-14H,1H3
InChIKeyZBHJZZQONGLDPV-UHFFFAOYSA-N
XLogP5.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline (CID 20953337) is 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline is COc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is ZBHJZZQONGLDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c1-28-20-9-5-8-18-22(20)25-14-19-21(15-6-3-2-4-7-15)26-27(23(18)19)17-12-10-16(24)11-13-17/h2-14H,1H3.
What are the key properties of 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline?
1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 369.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20953337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).