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

C24H18ClN3 — CID 20852479

IUPAC1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C24H18ClN3/c1-2-16-11-12-22-20(13-16)24-21(15-26-22)23(17-7-4-3-5-8-17)27-28(24)19-10-6-9-18(25)14-19/h3-15H,2H2,1H3
InChIKeyXSLCKLDOLWPYRZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP6.46
Rot. Bonds3

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

1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852479) has the molecular formula C24H18ClN3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852479
Molecular FormulaC24H18ClN3
Molecular Weight383.88 g/mol
Exact Mass383.12
IUPAC Name1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C24H18ClN3/c1-2-16-11-12-22-20(13-16)24-21(15-26-22)23(17-7-4-3-5-8-17)27-28(24)19-10-6-9-18(25)14-19/h3-15H,2H2,1H3
InChIKeyXSLCKLDOLWPYRZ-UHFFFAOYSA-N
XLogP6.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline (CID 20852479) is 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline is CCc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is XSLCKLDOLWPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3/c1-2-16-11-12-22-20(13-16)24-21(15-26-22)23(17-7-4-3-5-8-17)27-28(24)19-10-6-9-18(25)14-19/h3-15H,2H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 383.88 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).