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

C25H18FN3O2 — CID 20852495

IUPACethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(F)c4)c3c2c1
InChIInChI=1S/C25H18FN3O2/c1-2-31-25(30)17-11-12-22-20(13-17)24-21(15-27-22)23(16-7-4-3-5-8-16)28-29(24)19-10-6-9-18(26)14-19/h3-15H,2H2,1H3
InChIKeyMKHZYJLFUIADLI-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.56
Rot. Bonds4

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

ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (PubChem CID 20852495) has the molecular formula C25H18FN3O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
PubChem CID20852495
Molecular FormulaC25H18FN3O2
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC Nameethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(F)c4)c3c2c1
InChIInChI=1S/C25H18FN3O2/c1-2-31-25(30)17-11-12-22-20(13-17)24-21(15-27-22)23(16-7-4-3-5-8-16)28-29(24)19-10-6-9-18(26)14-19/h3-15H,2H2,1H3
InChIKeyMKHZYJLFUIADLI-UHFFFAOYSA-N
XLogP5.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (CID 20852495) is ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(F)c4)c3c2c1.
What is the InChIKey of ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The InChIKey is MKHZYJLFUIADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2/c1-2-31-25(30)17-11-12-22-20(13-17)24-21(15-27-22)23(16-7-4-3-5-8-16)28-29(24)19-10-6-9-18(26)14-19/h3-15H,2H2,1H3.
What are the key properties of ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate has a molecular weight of 411.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-fluorophenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 20852495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).