4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine

C28H24BrFN4O — CID 127030089

IUPAC4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine
SMILESFc1ccc(N2N=C(c3ccc(Br)cc3)CC2c2cc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C28H24BrFN4O/c29-21-7-5-19(6-8-21)26-18-27(34(32-26)23-11-9-22(30)10-12-23)24-17-20-3-1-2-4-25(20)31-28(24)33-13-15-35-16-14-33/h1-12,17,27H,13-16,18H2
InChIKeyGWWRSKMCXXUGLB-UHFFFAOYSA-N
MW531.43 g/mol
LogP6.33
Rot. Bonds4

About 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine

4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine (PubChem CID 127030089) has the molecular formula C28H24BrFN4O and a molecular weight of 531.43 g/mol. Its IUPAC name is 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine
PubChem CID127030089
Molecular FormulaC28H24BrFN4O
Molecular Weight531.43 g/mol
Exact Mass530.11
IUPAC Name4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine
SMILESFc1ccc(N2N=C(c3ccc(Br)cc3)CC2c2cc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C28H24BrFN4O/c29-21-7-5-19(6-8-21)26-18-27(34(32-26)23-11-9-22(30)10-12-23)24-17-20-3-1-2-4-25(20)31-28(24)33-13-15-35-16-14-33/h1-12,17,27H,13-16,18H2
InChIKeyGWWRSKMCXXUGLB-UHFFFAOYSA-N
XLogP6.33
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine 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 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine (CID 127030089) is 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine is Fc1ccc(N2N=C(c3ccc(Br)cc3)CC2c2cc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
The InChIKey is GWWRSKMCXXUGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrFN4O/c29-21-7-5-19(6-8-21)26-18-27(34(32-26)23-11-9-22(30)10-12-23)24-17-20-3-1-2-4-25(20)31-28(24)33-13-15-35-16-14-33/h1-12,17,27H,13-16,18H2.
What are the key properties of 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine has a molecular weight of 531.43 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(4-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 127030089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).