3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline

C25H20FN3O2 — CID 20852644

IUPAC3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
SMILESCOc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)cc4)c3c2cc1OC
InChIInChI=1S/C25H20FN3O2/c1-15-4-10-18(11-5-15)29-25-19-12-22(30-2)23(31-3)13-21(19)27-14-20(25)24(28-29)16-6-8-17(26)9-7-16/h4-14H,1-3H3
InChIKeyOVFAQZMQKDZOSC-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.71
Rot. Bonds4

About 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline

3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline (PubChem CID 20852644) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
PubChem CID20852644
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
SMILESCOc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)cc4)c3c2cc1OC
InChIInChI=1S/C25H20FN3O2/c1-15-4-10-18(11-5-15)29-25-19-12-22(30-2)23(31-3)13-21(19)27-14-20(25)24(28-29)16-6-8-17(26)9-7-16/h4-14H,1-3H3
InChIKeyOVFAQZMQKDZOSC-UHFFFAOYSA-N
XLogP5.71
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline (CID 20852644) is 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline is COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)cc4)c3c2cc1OC.
What is the InChIKey of 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is OVFAQZMQKDZOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-15-4-10-18(11-5-15)29-25-19-12-22(30-2)23(31-3)13-21(19)27-14-20(25)24(28-29)16-6-8-17(26)9-7-16/h4-14H,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline?
3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 413.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 20852644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).