(5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

C18H16ClNO5 — CID 55422262

IUPAC(5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCOc1ccc(Cl)cc1COC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H16ClNO5/c1-23-15-7-6-13(19)8-12(15)10-25-18(22)9-20-14-4-2-3-5-16(14)24-11-17(20)21/h2-8H,9-11H2,1H3
InChIKeyOYPKUTFYRDMOOG-UHFFFAOYSA-N
MW361.78 g/mol
LogP2.82
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

(5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 55422262) has the molecular formula C18H16ClNO5 and a molecular weight of 361.78 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID55422262
Molecular FormulaC18H16ClNO5
Molecular Weight361.78 g/mol
Exact Mass361.07
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCOc1ccc(Cl)cc1COC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H16ClNO5/c1-23-15-7-6-13(19)8-12(15)10-25-18(22)9-20-14-4-2-3-5-16(14)24-11-17(20)21/h2-8H,9-11H2,1H3
InChIKeyOYPKUTFYRDMOOG-UHFFFAOYSA-N
XLogP2.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630410
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2205365
(4-cyanophenyl)methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 31601831
(3-chlorophenyl)methyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8629989
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
[4-(trifluoromethoxy)phenyl]methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 55543753
naphthalen-1-yl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 18886676
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630058
naphthalen-2-yl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 18886677
(E)-3-(2-methoxy-5-methylphenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]prop-2-enehydrazide
CID 9225849
4-amino-5-chloro-2-methoxy-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]benzamide
CID 119800575
(5-chloro-2-methoxyphenyl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate
CID 8945828

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (CID 55422262) is (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is COc1ccc(Cl)cc1COC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is OYPKUTFYRDMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5/c1-23-15-7-6-13(19)8-12(15)10-25-18(22)9-20-14-4-2-3-5-16(14)24-11-17(20)21/h2-8H,9-11H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
(5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 361.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 55422262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).