4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine

C14H14N2O — CID 25180102

IUPAC4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C14H14N2O/c1-16-7-8-17-14-9-11(4-5-13(14)16)12-3-2-6-15-10-12/h2-6,9-10H,7-8H2,1H3
InChIKeyYBIUDQZQNQCPTN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.58
Rot. Bonds1

About 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine

4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 25180102) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID25180102
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C14H14N2O/c1-16-7-8-17-14-9-11(4-5-13(14)16)12-3-2-6-15-10-12/h2-6,9-10H,7-8H2,1H3
InChIKeyYBIUDQZQNQCPTN-UHFFFAOYSA-N
XLogP2.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
CID 117334117
6-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 125180520
5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3H-1,3,4-oxadiazol-2-one
CID 146425104
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
1-methyl-2-[4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenyl]-3-phenylcyclopropane-1-carboxylic acid
CID 90198519
7-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 130133273
7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 117000758
7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 146618626
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 176694445
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine (CID 25180102) is 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine is CN1CCOc2cc(-c3cccnc3)ccc21.
What is the InChIKey of 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is YBIUDQZQNQCPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16-7-8-17-14-9-11(4-5-13(14)16)12-3-2-6-15-10-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 226.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 25180102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).