8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline

C26H22FN3O2 — CID 2137325

IUPAC8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1F
InChIInChI=1S/C26H22FN3O2/c1-3-32-20-12-13-24-21(14-20)26-22(16-30(24)15-18-6-4-5-7-23(18)27)25(28-29-26)17-8-10-19(31-2)11-9-17/h4-14,16H,3,15H2,1-2H3
InChIKeyMCMYCVBJYANLLO-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.80
Rot. Bonds6

About 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline

8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 2137325) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
PubChem CID2137325
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1F
InChIInChI=1S/C26H22FN3O2/c1-3-32-20-12-13-24-21(14-20)26-22(16-30(24)15-18-6-4-5-7-23(18)27)25(28-29-26)17-8-10-19(31-2)11-9-17/h4-14,16H,3,15H2,1-2H3
InChIKeyMCMYCVBJYANLLO-UHFFFAOYSA-N
XLogP5.80
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline (CID 2137325) is 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline is CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1F.
What is the InChIKey of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is MCMYCVBJYANLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-3-32-20-12-13-24-21(14-20)26-22(16-30(24)15-18-6-4-5-7-23(18)27)25(28-29-26)17-8-10-19(31-2)11-9-17/h4-14,16H,3,15H2,1-2H3.
What are the key properties of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?
8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 427.48 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2137325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).