3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone

C14H18N2O3 — CID 24696205

IUPAC3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3O2)CCO1
InChIInChI=1S/C14H18N2O3/c1-10-9-16(6-7-18-10)14(17)13-8-15-11-4-2-3-5-12(11)19-13/h2-5,10,13,15H,6-9H2,1H3
InChIKeyPKIDFLWGTWCLFC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.11
Rot. Bonds1

About 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone

3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone (PubChem CID 24696205) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone
PubChem CID24696205
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3O2)CCO1
InChIInChI=1S/C14H18N2O3/c1-10-9-16(6-7-18-10)14(17)13-8-15-11-4-2-3-5-12(11)19-13/h2-5,10,13,15H,6-9H2,1H3
InChIKeyPKIDFLWGTWCLFC-UHFFFAOYSA-N
XLogP1.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone (CID 24696205) is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CNc3ccccc3O2)CCO1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone?
The InChIKey is PKIDFLWGTWCLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-9-16(6-7-18-10)14(17)13-8-15-11-4-2-3-5-12(11)19-13/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 24696205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).