1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline

C24H18FN3O — CID 20852660

IUPAC1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc23)cc1
InChIInChI=1S/C24H18FN3O/c1-15-3-12-22-20(13-15)24-21(14-26-22)23(16-4-10-19(29-2)11-5-16)27-28(24)18-8-6-17(25)7-9-18/h3-14H,1-2H3
InChIKeyCSHPJUJWUORLDF-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.70
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline

1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline (PubChem CID 20852660) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline
PubChem CID20852660
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc23)cc1
InChIInChI=1S/C24H18FN3O/c1-15-3-12-22-20(13-15)24-21(14-26-22)23(16-4-10-19(29-2)11-5-16)27-28(24)18-8-6-17(25)7-9-18/h3-14H,1-2H3
InChIKeyCSHPJUJWUORLDF-UHFFFAOYSA-N
XLogP5.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline (CID 20852660) is 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline is COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline?
The InChIKey is CSHPJUJWUORLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-15-3-12-22-20(13-15)24-21(14-26-22)23(16-4-10-19(29-2)11-5-16)27-28(24)18-8-6-17(25)7-9-18/h3-14H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline?
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline has a molecular weight of 383.43 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).