4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one

C18H24N2O4 — CID 3077714

IUPAC4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one
SMILESCCC(CN1CCOCC1)C(=O)c1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C18H24N2O4/c1-3-13(11-20-6-8-23-9-7-20)18(22)14-4-5-15-16(10-14)24-12-17(21)19(15)2/h4-5,10,13H,3,6-9,11-12H2,1-2H3
InChIKeyLKYXHERVBDCTNM-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.58
Rot. Bonds5

About 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one

4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one (PubChem CID 3077714) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one
PubChem CID3077714
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one
SMILESCCC(CN1CCOCC1)C(=O)c1ccc2c(c1)OCC(=O)N2C
InChIInChI=1S/C18H24N2O4/c1-3-13(11-20-6-8-23-9-7-20)18(22)14-4-5-15-16(10-14)24-12-17(21)19(15)2/h4-5,10,13H,3,6-9,11-12H2,1-2H3
InChIKeyLKYXHERVBDCTNM-UHFFFAOYSA-N
XLogP1.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763836
N-(diaminomethylidene)-4-methyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 10610532
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride
CID 70496178
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione
CID 56694067
4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one
CID 6449466
1-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 125161646
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 151096244
4-heptyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82025318
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
CID 116923890
7-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 59264598
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one (CID 3077714) is 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one is CCC(CN1CCOCC1)C(=O)c1ccc2c(c1)OCC(=O)N2C.
What is the InChIKey of 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one?
The InChIKey is LKYXHERVBDCTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-13(11-20-6-8-23-9-7-20)18(22)14-4-5-15-16(10-14)24-12-17(21)19(15)2/h4-5,10,13H,3,6-9,11-12H2,1-2H3.
What are the key properties of 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one?
4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one has a molecular weight of 332.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[2-(morpholin-4-ylmethyl)butanoyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 3077714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).