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

C25H19F2N3O — CID 2136467

IUPAC8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1F
InChIInChI=1S/C25H19F2N3O/c1-2-31-19-11-12-23-20(13-19)25-21(15-30(23)14-17-5-3-4-6-22(17)27)24(28-29-25)16-7-9-18(26)10-8-16/h3-13,15H,2,14H2,1H3
InChIKeyPXMNOXIIHPEMBA-UHFFFAOYSA-N
MW415.44 g/mol
LogP5.93
Rot. Bonds5

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

8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2136467) has the molecular formula C25H19F2N3O and a molecular weight of 415.44 g/mol. Its IUPAC name is 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2136467
Molecular FormulaC25H19F2N3O
Molecular Weight415.44 g/mol
Exact Mass415.15
IUPAC Name8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1F
InChIInChI=1S/C25H19F2N3O/c1-2-31-19-11-12-23-20(13-19)25-21(15-30(23)14-17-5-3-4-6-22(17)27)24(28-29-25)16-7-9-18(26)10-8-16/h3-13,15H,2,14H2,1H3
InChIKeyPXMNOXIIHPEMBA-UHFFFAOYSA-N
XLogP5.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
N-Methyl-5-benzyloxyindole
CID 259196
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
Dihydropyrrolopyrazole, 7f
CID 21992672
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
3-(2-Quinolin-4-yl-2H-pyrazol-3-yl)-1-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-1H-pyridazin-4-one
CID 46209520
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 57400861
2,2,2-trifluoro-N-((1R,2S)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)-1-(quinolin-3-yl)propan-2-yl)acetamide
CID 59339621
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
4-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193703

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2136467) is 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1F.
What is the InChIKey of 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is PXMNOXIIHPEMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O/c1-2-31-19-11-12-23-20(13-19)25-21(15-30(23)14-17-5-3-4-6-22(17)27)24(28-29-25)16-7-9-18(26)10-8-16/h3-13,15H,2,14H2,1H3.
What are the key properties of 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline?
8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 415.44 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2136467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).