4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride

C25H23ClN2O — CID 15945325

IUPAC4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride
SMILESCl.c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H22N2O.ClH/c1-2-6-19(7-3-1)23-18-25(26-24-9-5-4-8-22(23)24)20-10-12-21(13-11-20)27-14-16-28-17-15-27;/h1-13,18H,14-17H2;1H
InChIKeyMGTTZHKLRLOYMF-UHFFFAOYSA-N
MW402.93 g/mol
LogP5.83
Rot. Bonds3

About 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride

4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride (PubChem CID 15945325) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride
PubChem CID15945325
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride
SMILESCl.c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H22N2O.ClH/c1-2-6-19(7-3-1)23-18-25(26-24-9-5-4-8-22(23)24)20-10-12-21(13-11-20)27-14-16-28-17-15-27;/h1-13,18H,14-17H2;1H
InChIKeyMGTTZHKLRLOYMF-UHFFFAOYSA-N
XLogP5.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride?
The IUPAC name of 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride (CID 15945325) is 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride is Cl.c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride?
The InChIKey is MGTTZHKLRLOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O.ClH/c1-2-6-19(7-3-1)23-18-25(26-24-9-5-4-8-22(23)24)20-10-12-21(13-11-20)27-14-16-28-17-15-27;/h1-13,18H,14-17H2;1H.
What are the key properties of 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride?
4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylquinolin-2-yl)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 15945325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).