1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone

C18H20N2O2 — CID 126837060

IUPAC1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone
SMILESCc1cc(C)c2c(c1)N(C(=O)Cc1cnccc1C)CCO2
InChIInChI=1S/C18H20N2O2/c1-12-8-14(3)18-16(9-12)20(6-7-22-18)17(21)10-15-11-19-5-4-13(15)2/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyUSRPCUSBXVNDRM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.97
Rot. Bonds2

About 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone

1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone (PubChem CID 126837060) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone
PubChem CID126837060
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone
SMILESCc1cc(C)c2c(c1)N(C(=O)Cc1cnccc1C)CCO2
InChIInChI=1S/C18H20N2O2/c1-12-8-14(3)18-16(9-12)20(6-7-22-18)17(21)10-15-11-19-5-4-13(15)2/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyUSRPCUSBXVNDRM-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone (CID 126837060) is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone is Cc1cc(C)c2c(c1)N(C(=O)Cc1cnccc1C)CCO2.
What is the InChIKey of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is USRPCUSBXVNDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-8-14(3)18-16(9-12)20(6-7-22-18)17(21)10-15-11-19-5-4-13(15)2/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone?
1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 296.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 126837060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).