3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline

C26H20FN3O3 — CID 2141231

IUPAC3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1cccc(F)c1
InChIInChI=1S/C26H20FN3O3/c1-2-31-19-7-8-22-20(12-19)26-21(14-30(22)13-16-4-3-5-18(27)10-16)25(28-29-26)17-6-9-23-24(11-17)33-15-32-23/h3-12,14H,2,13,15H2,1H3
InChIKeyHRHBEBCYWYXZDQ-UHFFFAOYSA-N
MW441.46 g/mol
LogP5.52
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline

3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2141231) has the molecular formula C26H20FN3O3 and a molecular weight of 441.46 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2141231
Molecular FormulaC26H20FN3O3
Molecular Weight441.46 g/mol
Exact Mass441.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1cccc(F)c1
InChIInChI=1S/C26H20FN3O3/c1-2-31-19-7-8-22-20(12-19)26-21(14-30(22)13-16-4-3-5-18(27)10-16)25(28-29-26)17-6-9-23-24(11-17)33-15-32-23/h3-12,14H,2,13,15H2,1H3
InChIKeyHRHBEBCYWYXZDQ-UHFFFAOYSA-N
XLogP5.52
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 91899458
CID 91899458
CID 15990631
CID 15990631
CID 15990640
CID 15990640
CID 2136907
CID 2136907
CID 9555464
CID 9555464
CID 11857507
CID 11857507
CID 25188671
CID 25188671
CID 54753271
CID 54753271
CID 2136878
CID 2136878
CID 2136882
CID 2136882
CID 2136890
CID 2136890
CID 2136899
CID 2136899

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2141231) is 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is CCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1cccc(F)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is HRHBEBCYWYXZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3/c1-2-31-19-7-8-22-20(12-19)26-21(14-30(22)13-16-4-3-5-18(27)10-16)25(28-29-26)17-6-9-23-24(11-17)33-15-32-23/h3-12,14H,2,13,15H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 441.46 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-8-ethoxy-5-[(3-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2141231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).