N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C17H16N2O5 — CID 5295548

IUPACN-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC
InChIInChI=1S/C17H16N2O5/c1-22-14-6-4-11(8-15(14)23-2)18-17(21)10-3-5-13-12(7-10)19-16(20)9-24-13/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXFZKEEYJKWWNFO-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.29
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 5295548) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID5295548
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC
InChIInChI=1S/C17H16N2O5/c1-22-14-6-4-11(8-15(14)23-2)18-17(21)10-3-5-13-12(7-10)19-16(20)9-24-13/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXFZKEEYJKWWNFO-UHFFFAOYSA-N
XLogP2.29
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 5295548) is N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is XFZKEEYJKWWNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-22-14-6-4-11(8-15(14)23-2)18-17(21)10-3-5-13-12(7-10)19-16(20)9-24-13/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 5295548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).