2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

C16H15NO4 — CID 2840670

IUPAC2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCOc1ccc(C2NC(=O)c3ccccc3O2)cc1OC
InChIInChI=1S/C16H15NO4/c1-19-13-8-7-10(9-14(13)20-2)16-17-15(18)11-5-3-4-6-12(11)21-16/h3-9,16H,1-2H3,(H,17,18)
InChIKeyAHOCAAUPNWZQCF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.52
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 2840670) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID2840670
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCOc1ccc(C2NC(=O)c3ccccc3O2)cc1OC
InChIInChI=1S/C16H15NO4/c1-19-13-8-7-10(9-14(13)20-2)16-17-15(18)11-5-3-4-6-12(11)21-16/h3-9,16H,1-2H3,(H,17,18)
InChIKeyAHOCAAUPNWZQCF-UHFFFAOYSA-N
XLogP2.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

RO 116 1148
CID 44391713
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
Benzamide, N-[4-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)butyl]-2-(2-fluoroethoxy)-5-iodo-3-methoxy-
CID 16126685
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)-5-iodo-3-methoxy(18F)benzamide
CID 16202156
Iso-1 F-18
CID 16737780
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-2-(tritritiomethoxy)benzamide
CID 54585420
2-(4-Propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 5044994
Propionic acid 2-methoxy-4-(4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)-phenyl ester
CID 6489078
Butyric acid 2-methoxy-4-(4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)-phenyl ester
CID 6489089
Butyric acid 3-(4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)-phenyl ester
CID 6489091
2-(4-Isopropoxy-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 6489098
2-(4-Isopropoxy-3-methoxy-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 6489099

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 2840670) is 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is COc1ccc(C2NC(=O)c3ccccc3O2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is AHOCAAUPNWZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-13-8-7-10(9-14(13)20-2)16-17-15(18)11-5-3-4-6-12(11)21-16/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 285.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 2840670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).