2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one

C18H17NO6 — CID 17018602

IUPAC2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one
SMILESCOc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c(OC)c1
InChIInChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3
InChIKeyJCFSQIOFMQLSPV-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one

2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one (PubChem CID 17018602) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one
PubChem CID17018602
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one
SMILESCOc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c(OC)c1
InChIInChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3
InChIKeyJCFSQIOFMQLSPV-UHFFFAOYSA-N
XLogP2.89
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one (CID 17018602) is 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one is COc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
The InChIKey is JCFSQIOFMQLSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one has a molecular weight of 343.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 17018602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).