6-methoxy-4H-1,4-benzoxazin-3-one

C9H9NO3 — CID 13204952

IUPAC6-methoxy-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-9(11)5-13-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyYWGRZAGXNFIQBO-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.03
Rot. Bonds1

About 6-methoxy-4H-1,4-benzoxazin-3-one

6-methoxy-4H-1,4-benzoxazin-3-one (PubChem CID 13204952) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 6-methoxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-methoxy-4H-1,4-benzoxazin-3-one
PubChem CID13204952
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name6-methoxy-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-9(11)5-13-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyYWGRZAGXNFIQBO-UHFFFAOYSA-N
XLogP1.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
6-[chloro-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084415
6-(3-methoxybenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339539
methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
CID 17233891
7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762
6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one
CID 145481089
6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 44722490
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
6-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butoxy]-4H-1,4-benzoxazin-3-one
CID 126557618
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-methoxy-4H-1,4-benzoxazin-3-one (CID 13204952) is 6-methoxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-methoxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-methoxy-4H-1,4-benzoxazin-3-one is COc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-methoxy-4H-1,4-benzoxazin-3-one?
The InChIKey is YWGRZAGXNFIQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-9(11)5-13-8/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 6-methoxy-4H-1,4-benzoxazin-3-one?
6-methoxy-4H-1,4-benzoxazin-3-one has a molecular weight of 179.17 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 13204952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).