7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C15H16N2O2 — CID 117000758

IUPAC7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1cccc(-c2cnc3c(c2)OCCN3C)c1
InChIInChI=1S/C15H16N2O2/c1-17-6-7-19-14-9-12(10-16-15(14)17)11-4-3-5-13(8-11)18-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeyNDZBTFCPZUOJNI-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.59
Rot. Bonds2

About 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 117000758) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID117000758
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1cccc(-c2cnc3c(c2)OCCN3C)c1
InChIInChI=1S/C15H16N2O2/c1-17-6-7-19-14-9-12(10-16-15(14)17)11-4-3-5-13(8-11)18-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeyNDZBTFCPZUOJNI-UHFFFAOYSA-N
XLogP2.59
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 117000758) is 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is COc1cccc(-c2cnc3c(c2)OCCN3C)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is NDZBTFCPZUOJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17-6-7-19-14-9-12(10-16-15(14)17)11-4-3-5-13(8-11)18-2/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 256.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 117000758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).