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

C19H22N2O4 — CID 126826772

IUPAC1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone
SMILESCOc1ccc(COCC(=O)N2CCOc3c(C)cc(C)cc32)cn1
InChIInChI=1S/C19H22N2O4/c1-13-8-14(2)19-16(9-13)21(6-7-25-19)18(22)12-24-11-15-4-5-17(23-3)20-10-15/h4-5,8-10H,6-7,11-12H2,1-3H3
InChIKeyKDESTDKQKOXPNX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds5

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

1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone (PubChem CID 126826772) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone.

Molecular Properties

Compound Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone
PubChem CID126826772
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone
SMILESCOc1ccc(COCC(=O)N2CCOc3c(C)cc(C)cc32)cn1
InChIInChI=1S/C19H22N2O4/c1-13-8-14(2)19-16(9-13)21(6-7-25-19)18(22)12-24-11-15-4-5-17(23-3)20-10-15/h4-5,8-10H,6-7,11-12H2,1-3H3
InChIKeyKDESTDKQKOXPNX-UHFFFAOYSA-N
XLogP2.65
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(6-methoxy-3-pyridinyl)methoxy]ethanone?
The IUPAC name of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone (CID 126826772) is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone.
What is the SMILES notation for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone?
The canonical SMILES for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone is COc1ccc(COCC(=O)N2CCOc3c(C)cc(C)cc32)cn1.
What is the InChIKey of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone?
The InChIKey is KDESTDKQKOXPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-8-14(2)19-16(9-13)21(6-7-25-19)18(22)12-24-11-15-4-5-17(23-3)20-10-15/h4-5,8-10H,6-7,11-12H2,1-3H3.
What are the key properties of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone?
1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(6-methoxy-3-pyridinyl)methoxy]ethanone has a molecular weight of 342.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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-[(6-methoxy-3-pyridinyl)methoxy]ethanone is sourced from PubChem (CID 126826772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).