1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone

C14H18N2O3 — CID 66426809

IUPAC1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCOc2ccccc21
InChIInChI=1S/C14H18N2O3/c17-14(9-11-10-15-5-7-18-11)16-6-8-19-13-4-2-1-3-12(13)16/h1-4,11,15H,5-10H2
InChIKeyJQTXZIPNJBRUNO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.79
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone (PubChem CID 66426809) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone
PubChem CID66426809
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCOc2ccccc21
InChIInChI=1S/C14H18N2O3/c17-14(9-11-10-15-5-7-18-11)16-6-8-19-13-4-2-1-3-12(13)16/h1-4,11,15H,5-10H2
InChIKeyJQTXZIPNJBRUNO-UHFFFAOYSA-N
XLogP0.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
CID 61260164
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3R)-pyrrolidin-3-yl]oxyethanone
CID 154868078
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119776734
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalate
CID 21152021
2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 62838358
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-2-ylacetamide
CID 66427021
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-2-ylethanone
CID 66434915
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119828406
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 75414740
N-(3,4-dihydro-2H-chromen-4-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119685157

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone (CID 66426809) is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CCOc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone?
The InChIKey is JQTXZIPNJBRUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(9-11-10-15-5-7-18-11)16-6-8-19-13-4-2-1-3-12(13)16/h1-4,11,15H,5-10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone?
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone has a molecular weight of 262.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 66426809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).