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

C28H24ClFN4O — CID 127030091

IUPAC4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine
SMILESFc1ccc(N2N=C(c3ccc(Cl)cc3)CC2c2cc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C28H24ClFN4O/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
InChIKeyQCXVZLLAZPJKPA-UHFFFAOYSA-N
MW486.98 g/mol
LogP6.22
Rot. Bonds4

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

4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine (PubChem CID 127030091) has the molecular formula C28H24ClFN4O and a molecular weight of 486.98 g/mol. Its IUPAC name is 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine
PubChem CID127030091
Molecular FormulaC28H24ClFN4O
Molecular Weight486.98 g/mol
Exact Mass486.16
IUPAC Name4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine
SMILESFc1ccc(N2N=C(c3ccc(Cl)cc3)CC2c2cc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C28H24ClFN4O/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
InChIKeyQCXVZLLAZPJKPA-UHFFFAOYSA-N
XLogP6.22
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine with MolForge

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Related Compounds

4-(4-Chloro-phenyl)-2-morpholin-4-yl-quinazoline
CID 741297
6-Chloro-4-methyl-2-morpholinoquinoline
CID 1477208
2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine
CID 1181447
3-(4-Chlorophenyl)-2-morpholinoquinoline
CID 1484085
2-N-[(E)-(4-chlorophenyl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine
CID 66572567
4-[3-[5-(4-Bromophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine
CID 127030089
5-(4-Chlorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde
CID 127031836
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 1591115
4-[2-(2-Chlorophenyl)quinazolin-4-yl]morpholine
CID 710949
(3S)-4-[7-(4-chlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 25000730
(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 25000731
(3S)-4-[7-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57442022

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine (CID 127030091) is 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine is Fc1ccc(N2N=C(c3ccc(Cl)cc3)CC2c2cc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
The InChIKey is QCXVZLLAZPJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O/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-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine?
4-[3-[5-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine has a molecular weight of 486.98 g/mol, XLogP of 6.22, 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-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 127030091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).