4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride

C25H30Cl3N3O2 — CID 24844900

IUPAC4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(C2CN(C(CN3CCOCC3)c3ccccc3)c3ncccc3O2)cc1
InChIInChI=1S/C25H27N3O2.3ClH/c1-3-8-20(9-4-1)22(18-27-14-16-29-17-15-27)28-19-24(21-10-5-2-6-11-21)30-23-12-7-13-26-25(23)28;;;/h1-13,22,24H,14-19H2;3*1H
InChIKeyNMIJBWOIFJUOER-UHFFFAOYSA-N
MW510.89 g/mol
LogP5.36
Rot. Bonds5

About 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride

4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride (PubChem CID 24844900) has the molecular formula C25H30Cl3N3O2 and a molecular weight of 510.89 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
PubChem CID24844900
Molecular FormulaC25H30Cl3N3O2
Molecular Weight510.89 g/mol
Exact Mass509.14
IUPAC Name4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(C2CN(C(CN3CCOCC3)c3ccccc3)c3ncccc3O2)cc1
InChIInChI=1S/C25H27N3O2.3ClH/c1-3-8-20(9-4-1)22(18-27-14-16-29-17-15-27)28-19-24(21-10-5-2-6-11-21)30-23-12-7-13-26-25(23)28;;;/h1-13,22,24H,14-19H2;3*1H
InChIKeyNMIJBWOIFJUOER-UHFFFAOYSA-N
XLogP5.36
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.89
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
The IUPAC name of 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride (CID 24844900) is 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride.
What is the SMILES notation for 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
The canonical SMILES for 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride is Cl.Cl.Cl.c1ccc(C2CN(C(CN3CCOCC3)c3ccccc3)c3ncccc3O2)cc1.
What is the InChIKey of 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
The InChIKey is NMIJBWOIFJUOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2.3ClH/c1-3-8-20(9-4-1)22(18-27-14-16-29-17-15-27)28-19-24(21-10-5-2-6-11-21)30-23-12-7-13-26-25(23)28;;;/h1-13,22,24H,14-19H2;3*1H.
What are the key properties of 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride?
4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride has a molecular weight of 510.89 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-1-phenylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride is sourced from PubChem (CID 24844900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).