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

C16H19ClN2O4 — CID 3526127

IUPAC6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(Cl)cc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C16H19ClN2O4/c1-2-13-16(21)19(10-15(20)18-5-7-22-8-6-18)12-9-11(17)3-4-14(12)23-13/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyVWCNBYZMRVCOQU-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.70
Rot. Bonds3

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

6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (PubChem CID 3526127) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
PubChem CID3526127
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(Cl)cc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C16H19ClN2O4/c1-2-13-16(21)19(10-15(20)18-5-7-22-8-6-18)12-9-11(17)3-4-14(12)23-13/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyVWCNBYZMRVCOQU-UHFFFAOYSA-N
XLogP1.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (CID 3526127) is 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is CCC1Oc2ccc(Cl)cc2N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The InChIKey is VWCNBYZMRVCOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-2-13-16(21)19(10-15(20)18-5-7-22-8-6-18)12-9-11(17)3-4-14(12)23-13/h3-4,9,13H,2,5-8,10H2,1H3.
What are the key properties of 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one has a molecular weight of 338.79 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 3526127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).