6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one

C14H15ClN2O4 — CID 757887

IUPAC6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCOCC1
InChIInChI=1S/C14H15ClN2O4/c15-10-1-2-12-11(7-10)17(14(19)9-21-12)8-13(18)16-3-5-20-6-4-16/h1-2,7H,3-6,8-9H2
InChIKeyGRZALRZQJQUILB-UHFFFAOYSA-N
MW310.74 g/mol
LogP0.92
Rot. Bonds2

About 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one

6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (PubChem CID 757887) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
PubChem CID757887
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCOCC1
InChIInChI=1S/C14H15ClN2O4/c15-10-1-2-12-11(7-10)17(14(19)9-21-12)8-13(18)16-3-5-20-6-4-16/h1-2,7H,3-6,8-9H2
InChIKeyGRZALRZQJQUILB-UHFFFAOYSA-N
XLogP0.92
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (CID 757887) is 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCOCC1.
What is the InChIKey of 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The InChIKey is GRZALRZQJQUILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-10-1-2-12-11(7-10)17(14(19)9-21-12)8-13(18)16-3-5-20-6-4-16/h1-2,7H,3-6,8-9H2.
What are the key properties of 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one has a molecular weight of 310.74 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 757887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).