4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine

C18H20N2O2 — CID 174643080

IUPAC4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESc1cc(N2CCOCC2)cc(N2CCOc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-2-7-18-17(6-1)20(10-13-22-18)16-5-3-4-15(14-16)19-8-11-21-12-9-19/h1-7,14H,8-13H2
InChIKeyGDPXPKVUTHTZMP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.05
Rot. Bonds2

About 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine

4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 174643080) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID174643080
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESc1cc(N2CCOCC2)cc(N2CCOc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-2-7-18-17(6-1)20(10-13-22-18)16-5-3-4-15(14-16)19-8-11-21-12-9-19/h1-7,14H,8-13H2
InChIKeyGDPXPKVUTHTZMP-UHFFFAOYSA-N
XLogP3.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine (CID 174643080) is 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine is c1cc(N2CCOCC2)cc(N2CCOc3ccccc32)c1.
What is the InChIKey of 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is GDPXPKVUTHTZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-7-18-17(6-1)20(10-13-22-18)16-5-3-4-15(14-16)19-8-11-21-12-9-19/h1-7,14H,8-13H2.
What are the key properties of 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine?
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 296.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 174643080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).