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

C17H20N2O — CID 13212024

IUPAC2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCC1CN(CCc2ccccc2)c2ncccc2O1
InChIInChI=1S/C17H20N2O/c1-2-15-13-19(12-10-14-7-4-3-5-8-14)17-16(20-15)9-6-11-18-17/h3-9,11,15H,2,10,12-13H2,1H3
InChIKeyBPPCNWGMADCXQS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds4

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

2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13212024) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13212024
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCC1CN(CCc2ccccc2)c2ncccc2O1
InChIInChI=1S/C17H20N2O/c1-2-15-13-19(12-10-14-7-4-3-5-8-14)17-16(20-15)9-6-11-18-17/h3-9,11,15H,2,10,12-13H2,1H3
InChIKeyBPPCNWGMADCXQS-UHFFFAOYSA-N
XLogP3.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 13212024) is 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is CCC1CN(CCc2ccccc2)c2ncccc2O1.
What is the InChIKey of 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is BPPCNWGMADCXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-15-13-19(12-10-14-7-4-3-5-8-14)17-16(20-15)9-6-11-18-17/h3-9,11,15H,2,10,12-13H2,1H3.
What are the key properties of 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 268.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).