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

C25H20FN3 — CID 20852772

IUPAC3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(C)c(C)c3)c3cnc4ccc(F)cc4c32)cc1
InChIInChI=1S/C25H20FN3/c1-15-4-9-20(10-5-15)29-25-21-13-19(26)8-11-23(21)27-14-22(25)24(28-29)18-7-6-16(2)17(3)12-18/h4-14H,1-3H3
InChIKeyVBGQESRKDPGWPN-UHFFFAOYSA-N
MW381.45 g/mol
LogP6.31
Rot. Bonds2

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

3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852772) has the molecular formula C25H20FN3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852772
Molecular FormulaC25H20FN3
Molecular Weight381.45 g/mol
Exact Mass381.16
IUPAC Name3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(C)c(C)c3)c3cnc4ccc(F)cc4c32)cc1
InChIInChI=1S/C25H20FN3/c1-15-4-9-20(10-5-15)29-25-21-13-19(26)8-11-23(21)27-14-22(25)24(28-29)18-7-6-16(2)17(3)12-18/h4-14H,1-3H3
InChIKeyVBGQESRKDPGWPN-UHFFFAOYSA-N
XLogP6.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline (CID 20852772) is 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-n2nc(-c3ccc(C)c(C)c3)c3cnc4ccc(F)cc4c32)cc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is VBGQESRKDPGWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3/c1-15-4-9-20(10-5-15)29-25-21-13-19(26)8-11-23(21)27-14-22(25)24(28-29)18-7-6-16(2)17(3)12-18/h4-14H,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 381.45 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-8-fluoro-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).