1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one

C15H20N2O3 — CID 82050758

IUPAC1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2c(c1)NCCO2
InChIInChI=1S/C15H20N2O3/c18-14(3-5-17-6-9-19-10-7-17)12-1-2-15-13(11-12)16-4-8-20-15/h1-2,11,16H,3-10H2
InChIKeyDEBSGRWCONMGCV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.40
Rot. Bonds4

About 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one

1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 82050758) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID82050758
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2c(c1)NCCO2
InChIInChI=1S/C15H20N2O3/c18-14(3-5-17-6-9-19-10-7-17)12-1-2-15-13(11-12)16-4-8-20-15/h1-2,11,16H,3-10H2
InChIKeyDEBSGRWCONMGCV-UHFFFAOYSA-N
XLogP1.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylethanone
CID 82050767
4-amino-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-1-one
CID 82341394
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 82261221
2-(diethylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82050770
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-propylsulfanylethanone
CID 82050777
1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
CID 71156888
2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260676
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260674
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)ethanone
CID 82261181

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one (CID 82050758) is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)c1ccc2c(c1)NCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is DEBSGRWCONMGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(3-5-17-6-9-19-10-7-17)12-1-2-15-13(11-12)16-4-8-20-15/h1-2,11,16H,3-10H2.
What are the key properties of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one?
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 82050758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).