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

C26H22FN3O2 — CID 2136917

IUPAC3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC
InChIInChI=1S/C26H22FN3O2/c1-16-5-4-6-17(11-16)14-30-15-21-25(18-7-9-19(27)10-8-18)28-29-26(21)20-12-23(31-2)24(32-3)13-22(20)30/h4-13,15H,14H2,1-3H3
InChIKeyNYTUWWIBPCHWPE-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.72
Rot. Bonds5

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

3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2136917) 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-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2136917
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC
InChIInChI=1S/C26H22FN3O2/c1-16-5-4-6-17(11-16)14-30-15-21-25(18-7-9-19(27)10-8-18)28-29-26(21)20-12-23(31-2)24(32-3)13-22(20)30/h4-13,15H,14H2,1-3H3
InChIKeyNYTUWWIBPCHWPE-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2136917) is 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline is COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC.
What is the InChIKey of 3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is NYTUWWIBPCHWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-16-5-4-6-17(11-16)14-30-15-21-25(18-7-9-19(27)10-8-18)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-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(4-fluorophenyl)-7,8-dimethoxy-5-[(3-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-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2136917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).