2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C27H24N2O5 — CID 24506163

IUPAC2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESO=C(C1CN(C(=O)Cc2coc3ccc4ccccc4c23)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C27H24N2O5/c30-25(15-19-17-33-23-10-9-18-5-1-2-6-20(18)26(19)23)29-16-24(27(31)28-11-13-32-14-12-28)34-22-8-4-3-7-21(22)29/h1-10,17,24H,11-16H2
InChIKeyLFCXZDBAYXKLCR-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.78
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 24506163) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID24506163
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESO=C(C1CN(C(=O)Cc2coc3ccc4ccccc4c23)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C27H24N2O5/c30-25(15-19-17-33-23-10-9-18-5-1-2-6-20(18)26(19)23)29-16-24(27(31)28-11-13-32-14-12-28)34-22-8-4-3-7-21(22)29/h1-10,17,24H,11-16H2
InChIKeyLFCXZDBAYXKLCR-UHFFFAOYSA-N
XLogP3.78
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-1-(2,3-dihydroindol-1-yl)ethanone
CID 933045
2-(6-methoxy-1-benzofuran-3-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 40794760
2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4628724
2-(3-methoxyphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 27446738
N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 24571008
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 40798058
4-methyl-3-[2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 9450417
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506214
2-(1,2-benzoxazol-3-yl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8945086
2-cyclohexylidene-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 56799024
[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 24506163) is 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is O=C(C1CN(C(=O)Cc2coc3ccc4ccccc4c23)c2ccccc2O1)N1CCOCC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is LFCXZDBAYXKLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c30-25(15-19-17-33-23-10-9-18-5-1-2-6-20(18)26(19)23)29-16-24(27(31)28-11-13-32-14-12-28)34-22-8-4-3-7-21(22)29/h1-10,17,24H,11-16H2.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 456.50 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 24506163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).