2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

C16H17ClN2O2 — CID 24844934

IUPAC2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCC1Oc2cccnc2N(CCc2ccccc2)C1=O.Cl
InChIInChI=1S/C16H16N2O2.ClH/c1-12-16(19)18(11-9-13-6-3-2-4-7-13)15-14(20-12)8-5-10-17-15;/h2-8,10,12H,9,11H2,1H3;1H
InChIKeySEJPUIBHOYIANS-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 24844934) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
PubChem CID24844934
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
SMILESCC1Oc2cccnc2N(CCc2ccccc2)C1=O.Cl
InChIInChI=1S/C16H16N2O2.ClH/c1-12-16(19)18(11-9-13-6-3-2-4-7-13)15-14(20-12)8-5-10-17-15;/h2-8,10,12H,9,11H2,1H3;1H
InChIKeySEJPUIBHOYIANS-UHFFFAOYSA-N
XLogP2.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.86
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)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The IUPAC name of 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 24844934) is 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.
What is the SMILES notation for 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The canonical SMILES for 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is CC1Oc2cccnc2N(CCc2ccccc2)C1=O.Cl.
What is the InChIKey of 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
The InChIKey is SEJPUIBHOYIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.ClH/c1-12-16(19)18(11-9-13-6-3-2-4-7-13)15-14(20-12)8-5-10-17-15;/h2-8,10,12H,9,11H2,1H3;1H.
What are the key properties of 2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?
2-methyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 2.86, 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)pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 24844934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).