1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone

C24H23FN4O2 — CID 127030357

IUPAC1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(F)cc2)CC1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C24H23FN4O2/c1-16(30)29-23(15-22(27-29)17-6-8-19(25)9-7-17)20-14-18-4-2-3-5-21(18)26-24(20)28-10-12-31-13-11-28/h2-9,14,23H,10-13,15H2,1H3
InChIKeyWYIIBWKCYNUYQI-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.91
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 127030357) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID127030357
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(F)cc2)CC1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C24H23FN4O2/c1-16(30)29-23(15-22(27-29)17-6-8-19(25)9-7-17)20-14-18-4-2-3-5-21(18)26-24(20)28-10-12-31-13-11-28/h2-9,14,23H,10-13,15H2,1H3
InChIKeyWYIIBWKCYNUYQI-UHFFFAOYSA-N
XLogP3.91
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone 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-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 127030357) is 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccc(F)cc2)CC1c1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is WYIIBWKCYNUYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16(30)29-23(15-22(27-29)17-6-8-19(25)9-7-17)20-14-18-4-2-3-5-21(18)26-24(20)28-10-12-31-13-11-28/h2-9,14,23H,10-13,15H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 418.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 127030357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).