8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline

C24H19N3 — CID 15990597

IUPAC8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C24H19N3/c1-2-17-13-14-22-20(15-17)24-21(16-25-22)23(18-9-5-3-6-10-18)26-27(24)19-11-7-4-8-12-19/h3-16H,2H2,1H3
InChIKeyLMMFOKQIMWQPMB-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.80
Rot. Bonds3

About 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline

8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline (PubChem CID 15990597) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline
PubChem CID15990597
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C24H19N3/c1-2-17-13-14-22-20(15-17)24-21(16-25-22)23(18-9-5-3-6-10-18)26-27(24)19-11-7-4-8-12-19/h3-16H,2H2,1H3
InChIKeyLMMFOKQIMWQPMB-UHFFFAOYSA-N
XLogP5.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline (CID 15990597) is 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline is CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1.
What is the InChIKey of 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline?
The InChIKey is LMMFOKQIMWQPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-2-17-13-14-22-20(15-17)24-21(16-25-22)23(18-9-5-3-6-10-18)26-27(24)19-11-7-4-8-12-19/h3-16H,2H2,1H3.
What are the key properties of 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline?
8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline has a molecular weight of 349.44 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,3-diphenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).