ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate

C26H20FN3O2 — CID 20852603

IUPACethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C26H20FN3O2/c1-3-32-26(31)18-8-13-23-21(14-18)25-22(15-28-23)24(17-6-4-16(2)5-7-17)29-30(25)20-11-9-19(27)10-12-20/h4-15H,3H2,1-2H3
InChIKeyVCNFKNBYWQGCLY-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.86
Rot. Bonds4

About ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate

ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate (PubChem CID 20852603) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
PubChem CID20852603
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC Nameethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C26H20FN3O2/c1-3-32-26(31)18-8-13-23-21(14-18)25-22(15-28-23)24(17-6-4-16(2)5-7-17)29-30(25)20-11-9-19(27)10-12-20/h4-15H,3H2,1-2H3
InChIKeyVCNFKNBYWQGCLY-UHFFFAOYSA-N
XLogP5.86
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate (CID 20852603) is ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate is CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
The InChIKey is VCNFKNBYWQGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c1-3-32-26(31)18-8-13-23-21(14-18)25-22(15-28-23)24(17-6-4-16(2)5-7-17)29-30(25)20-11-9-19(27)10-12-20/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 20852603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).