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

C24H17ClFN3 — CID 20852483

IUPAC1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H17ClFN3/c1-2-15-8-11-22-18(12-15)24-19(14-27-22)23(16-6-4-3-5-7-16)28-29(24)17-9-10-21(26)20(25)13-17/h3-14H,2H2,1H3
InChIKeyBNMGALLCUAHGJC-UHFFFAOYSA-N
MW401.87 g/mol
LogP6.60
Rot. Bonds3

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

1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852483) has the molecular formula C24H17ClFN3 and a molecular weight of 401.87 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852483
Molecular FormulaC24H17ClFN3
Molecular Weight401.87 g/mol
Exact Mass401.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1
InChIInChI=1S/C24H17ClFN3/c1-2-15-8-11-22-18(12-15)24-19(14-27-22)23(16-6-4-3-5-7-16)28-29(24)17-9-10-21(26)20(25)13-17/h3-14H,2H2,1H3
InChIKeyBNMGALLCUAHGJC-UHFFFAOYSA-N
XLogP6.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.87
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline (CID 20852483) is 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline is CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is BNMGALLCUAHGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3/c1-2-15-8-11-22-18(12-15)24-19(14-27-22)23(16-6-4-3-5-7-16)28-29(24)17-9-10-21(26)20(25)13-17/h3-14H,2H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?
1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 401.87 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).