1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

C25H20FN3O — CID 20852833

IUPAC1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)c1
InChIInChI=1S/C25H20FN3O/c1-15-7-9-19(11-16(15)2)29-25-21-13-18(26)8-10-23(21)27-14-22(25)24(28-29)17-5-4-6-20(12-17)30-3/h4-14H,1-3H3
InChIKeyLCQQCRCGYNGRIL-UHFFFAOYSA-N
MW397.45 g/mol
LogP6.01
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852833) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852833
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC Name1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)c1
InChIInChI=1S/C25H20FN3O/c1-15-7-9-19(11-16(15)2)29-25-21-13-18(26)8-10-23(21)27-14-22(25)24(28-29)17-5-4-6-20(12-17)30-3/h4-14H,1-3H3
InChIKeyLCQQCRCGYNGRIL-UHFFFAOYSA-N
XLogP6.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (CID 20852833) is 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is LCQQCRCGYNGRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c1-15-7-9-19(11-16(15)2)29-25-21-13-18(26)8-10-23(21)27-14-22(25)24(28-29)17-5-4-6-20(12-17)30-3/h4-14H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 397.45 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-8-fluoro-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).