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

C17H21N3O4 — CID 3065547

IUPACmorpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone
SMILESO=C(C1Oc2ccccc2N=C1N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c21-17(20-7-11-23-12-8-20)15-16(19-5-9-22-10-6-19)18-13-3-1-2-4-14(13)24-15/h1-4,15H,5-12H2
InChIKeyBCPCSIROGUOARW-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.67
Rot. Bonds1

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

morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone (PubChem CID 3065547) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone
PubChem CID3065547
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemorpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone
SMILESO=C(C1Oc2ccccc2N=C1N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c21-17(20-7-11-23-12-8-20)15-16(19-5-9-22-10-6-19)18-13-3-1-2-4-14(13)24-15/h1-4,15H,5-12H2
InChIKeyBCPCSIROGUOARW-UHFFFAOYSA-N
XLogP0.67
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone?
The IUPAC name of morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone (CID 3065547) is morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone?
The canonical SMILES for morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone is O=C(C1Oc2ccccc2N=C1N1CCOCC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone?
The InChIKey is BCPCSIROGUOARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-17(20-7-11-23-12-8-20)15-16(19-5-9-22-10-6-19)18-13-3-1-2-4-14(13)24-15/h1-4,15H,5-12H2.
What are the key properties of morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone?
morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone has a molecular weight of 331.37 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone is sourced from PubChem (CID 3065547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).