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

C16H18N2O — CID 13212018

IUPAC2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC1CN(CCc2ccccc2)c2ncccc2O1
InChIInChI=1S/C16H18N2O/c1-13-12-18(11-9-14-6-3-2-4-7-14)16-15(19-13)8-5-10-17-16/h2-8,10,13H,9,11-12H2,1H3
InChIKeyQJFBBIXDOYUELE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.91
Rot. Bonds3

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

2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13212018) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13212018
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC1CN(CCc2ccccc2)c2ncccc2O1
InChIInChI=1S/C16H18N2O/c1-13-12-18(11-9-14-6-3-2-4-7-14)16-15(19-13)8-5-10-17-16/h2-8,10,13H,9,11-12H2,1H3
InChIKeyQJFBBIXDOYUELE-UHFFFAOYSA-N
XLogP2.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 13212018) is 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is CC1CN(CCc2ccccc2)c2ncccc2O1.
What is the InChIKey of 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is QJFBBIXDOYUELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-12-18(11-9-14-6-3-2-4-7-14)16-15(19-13)8-5-10-17-16/h2-8,10,13H,9,11-12H2,1H3.
What are the key properties of 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 254.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).