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

C26H22FN3O2 — CID 2136907

IUPAC3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C26H22FN3O2/c1-16-4-6-17(7-5-16)14-30-15-21-25(18-8-10-19(27)11-9-18)28-29-26(21)20-12-23(31-2)24(32-3)13-22(20)30/h4-13,15H,14H2,1-3H3
InChIKeyUDBULEMYJGHWPM-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.72
Rot. Bonds5

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

3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2136907) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2136907
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C26H22FN3O2/c1-16-4-6-17(7-5-16)14-30-15-21-25(18-8-10-19(27)11-9-18)28-29-26(21)20-12-23(31-2)24(32-3)13-22(20)30/h4-13,15H,14H2,1-3H3
InChIKeyUDBULEMYJGHWPM-UHFFFAOYSA-N
XLogP5.72
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
6,7-Dimethoxy-3-(4-methoxy-phenyl)-quinoline
CID 9882618
3-(3-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 9971060
3-(1H-indol-3-yl)-6,7-dimethoxy-quinoline
CID 9972296
6,7-Dimethoxy-3-((E)-styryl)-quinoline
CID 10017166
3-(4-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10039460
3-(2-Cyclohexyl-ethyl)-6,7-dimethoxy-quinoline
CID 10040402
3-Cyclopent-1-enyl-6,7-dimethoxy-quinoline
CID 10083699
3-(3,4-Difluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10402592
6,7-Dimethoxy-3-phenyl-quinoline
CID 10422972
6,7-Dimethoxy-3-phenylethynyl-quinoline
CID 10446889

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2136907) is 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline is COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is UDBULEMYJGHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-16-4-6-17(7-5-16)14-30-15-21-25(18-8-10-19(27)11-9-18)28-29-26(21)20-12-23(31-2)24(32-3)13-22(20)30/h4-13,15H,14H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(4-fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 427.48 g/mol, XLogP of 5.72, 5 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-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2136907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).