1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone

C18H20N2O2 — CID 71979716

IUPAC1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc2c(c1)OC(C)CN2C(=O)Cc1ccc(C)nc1
InChIInChI=1S/C18H20N2O2/c1-12-4-7-16-17(8-12)22-14(3)11-20(16)18(21)9-15-6-5-13(2)19-10-15/h4-8,10,14H,9,11H2,1-3H3
InChIKeyOEZJQLXXOYZSAC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.06
Rot. Bonds2

About 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone

1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 71979716) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID71979716
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc2c(c1)OC(C)CN2C(=O)Cc1ccc(C)nc1
InChIInChI=1S/C18H20N2O2/c1-12-4-7-16-17(8-12)22-14(3)11-20(16)18(21)9-15-6-5-13(2)19-10-15/h4-8,10,14H,9,11H2,1-3H3
InChIKeyOEZJQLXXOYZSAC-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone (CID 71979716) is 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone is Cc1ccc2c(c1)OC(C)CN2C(=O)Cc1ccc(C)nc1.
What is the InChIKey of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is OEZJQLXXOYZSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-4-7-16-17(8-12)22-14(3)11-20(16)18(21)9-15-6-5-13(2)19-10-15/h4-8,10,14H,9,11H2,1-3H3.
What are the key properties of 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone?
1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 296.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 71979716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).