7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H14N2O — CID 170266201

IUPAC7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccncc1-c1ccc2c(c1)OCCN2
InChIInChI=1S/C14H14N2O/c1-10-4-5-15-9-12(10)11-2-3-13-14(8-11)17-7-6-16-13/h2-5,8-9,16H,6-7H2,1H3
InChIKeyIACKFHPUUOPXHK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.86
Rot. Bonds1

About 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine

7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 170266201) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID170266201
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccncc1-c1ccc2c(c1)OCCN2
InChIInChI=1S/C14H14N2O/c1-10-4-5-15-9-12(10)11-2-3-13-14(8-11)17-7-6-16-13/h2-5,8-9,16H,6-7H2,1H3
InChIKeyIACKFHPUUOPXHK-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 170266201) is 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccncc1-c1ccc2c(c1)OCCN2.
What is the InChIKey of 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is IACKFHPUUOPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-4-5-15-9-12(10)11-2-3-13-14(8-11)17-7-6-16-13/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine?
7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 226.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 170266201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).