7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C15H16N2O — CID 117000695

IUPAC7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1ccc(-c2cnc3c(c2)OCCN3)c(C)c1
InChIInChI=1S/C15H16N2O/c1-10-3-4-13(11(2)7-10)12-8-14-15(17-9-12)16-5-6-18-14/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyWLEKFSYKPLGDRL-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.17
Rot. Bonds1

About 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 117000695) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID117000695
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1ccc(-c2cnc3c(c2)OCCN3)c(C)c1
InChIInChI=1S/C15H16N2O/c1-10-3-4-13(11(2)7-10)12-8-14-15(17-9-12)16-5-6-18-14/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyWLEKFSYKPLGDRL-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 117000677
7-(3-methoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 117000684
7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one
CID 169422650
7-isocyano-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 59019416
4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine
CID 68983892
5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977198
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;dihydrochloride
CID 141075703
7-[4-cyclobutyl-2-fluoro-3-[(4-isocyanophenyl)methoxy]phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 118704695
7-[(1S)-1-piperidin-1-ylethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 153376496
6-(2-methyl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 90168149
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
2-(2,4-dimethylphenyl)-4-fluoropyridine
CID 102824457

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 117000695) is 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Cc1ccc(-c2cnc3c(c2)OCCN3)c(C)c1.
What is the InChIKey of 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is WLEKFSYKPLGDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-3-4-13(11(2)7-10)12-8-14-15(17-9-12)16-5-6-18-14/h3-4,7-9H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 240.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 117000695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).