4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine

C16H24N2O2 — CID 170869910

IUPAC4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(CCCN3CCOCC3)ccc21
InChIInChI=1S/C16H24N2O2/c1-17-7-12-20-16-13-14(4-5-15(16)17)3-2-6-18-8-10-19-11-9-18/h4-5,13H,2-3,6-12H2,1H3
InChIKeyLUEOILOEPMSSBU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.78
Rot. Bonds4

About 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine

4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 170869910) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID170869910
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(CCCN3CCOCC3)ccc21
InChIInChI=1S/C16H24N2O2/c1-17-7-12-20-16-13-14(4-5-15(16)17)3-2-6-18-8-10-19-11-9-18/h4-5,13H,2-3,6-12H2,1H3
InChIKeyLUEOILOEPMSSBU-UHFFFAOYSA-N
XLogP1.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
CID 83777474
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(1-ethyl-2,3-dihydroindol-5-yl)propyl]morpholine
CID 170870656
4-[3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propyl]morpholine
CID 170870224
7-(isocyanatomethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 117292430
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858
11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde
CID 10989164
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine (CID 170869910) is 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine is CN1CCOc2cc(CCCN3CCOCC3)ccc21.
What is the InChIKey of 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is LUEOILOEPMSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-7-12-20-16-13-14(4-5-15(16)17)3-2-6-18-8-10-19-11-9-18/h4-5,13H,2-3,6-12H2,1H3.
What are the key properties of 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine?
4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 276.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 170869910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).