1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione

C17H22N2O4 — CID 22512891

IUPAC1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
SMILESCc1ccc2c(c1)N(C(=O)CCC(=O)N1CCOCC1)CCO2
InChIInChI=1S/C17H22N2O4/c1-13-2-3-15-14(12-13)19(8-11-23-15)17(21)5-4-16(20)18-6-9-22-10-7-18/h2-3,12H,4-11H2,1H3
InChIKeyFTUHWGFHVATJRT-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.36
Rot. Bonds3

About 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione

1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione (PubChem CID 22512891) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
PubChem CID22512891
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
SMILESCc1ccc2c(c1)N(C(=O)CCC(=O)N1CCOCC1)CCO2
InChIInChI=1S/C17H22N2O4/c1-13-2-3-15-14(12-13)19(8-11-23-15)17(21)5-4-16(20)18-6-9-22-10-7-18/h2-3,12H,4-11H2,1H3
InChIKeyFTUHWGFHVATJRT-UHFFFAOYSA-N
XLogP1.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
The IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione (CID 22512891) is 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione.
What is the SMILES notation for 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
The canonical SMILES for 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione is Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCOCC1)CCO2.
What is the InChIKey of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
The InChIKey is FTUHWGFHVATJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13-2-3-15-14(12-13)19(8-11-23-15)17(21)5-4-16(20)18-6-9-22-10-7-18/h2-3,12H,4-11H2,1H3.
What are the key properties of 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione has a molecular weight of 318.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione is sourced from PubChem (CID 22512891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).