2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

C21H20N2O — CID 13212030

IUPAC2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(CCN2CC(c3ccccc3)Oc3cccnc32)cc1
InChIInChI=1S/C21H20N2O/c1-3-8-17(9-4-1)13-15-23-16-20(18-10-5-2-6-11-18)24-19-12-7-14-22-21(19)23/h1-12,14,20H,13,15-16H2
InChIKeyYEZWZXCAMPOLJN-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.26
Rot. Bonds4

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

2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13212030) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13212030
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(CCN2CC(c3ccccc3)Oc3cccnc32)cc1
InChIInChI=1S/C21H20N2O/c1-3-8-17(9-4-1)13-15-23-16-20(18-10-5-2-6-11-18)24-19-12-7-14-22-21(19)23/h1-12,14,20H,13,15-16H2
InChIKeyYEZWZXCAMPOLJN-UHFFFAOYSA-N
XLogP4.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 13212030) is 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is c1ccc(CCN2CC(c3ccccc3)Oc3cccnc32)cc1.
What is the InChIKey of 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is YEZWZXCAMPOLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-8-17(9-4-1)13-15-23-16-20(18-10-5-2-6-11-18)24-19-12-7-14-22-21(19)23/h1-12,14,20H,13,15-16H2.
What are the key properties of 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 316.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).