2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one

C10H10N2O4 — CID 15210346

IUPAC2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(N)oc(=O)c2cc1OC
InChIInChI=1S/C10H10N2O4/c1-14-7-3-5-6(4-8(7)15-2)12-10(11)16-9(5)13/h3-4H,1-2H3,(H2,11,12)
InChIKeyLQNUYTMEPOEWDD-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one

2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one (PubChem CID 15210346) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one
PubChem CID15210346
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(N)oc(=O)c2cc1OC
InChIInChI=1S/C10H10N2O4/c1-14-7-3-5-6(4-8(7)15-2)12-10(11)16-9(5)13/h3-4H,1-2H3,(H2,11,12)
InChIKeyLQNUYTMEPOEWDD-UHFFFAOYSA-N
XLogP0.79
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2,5-dimethylphenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 143956178
6,7-dimethoxy-2-(4-methylphenyl)-3,1-benzoxazin-4-one
CID 678968
6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one
CID 72702660
2-[4-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenoxy]phenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 4125069
2-[2-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 143956170
6,7-dimethoxy-2-(thiophen-2-ylmethyl)-3,1-benzoxazin-4-one
CID 17390898
2-amino-7-propan-2-yl-3,1-benzoxazin-4-one
CID 504591
2-[(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
CID 1238236
methyl 2-(2-amino-4-oxo-3,1-benzoxazin-7-yl)propanoate
CID 504596
2-[(4-tert-butylphenoxy)methyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 3444766
6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
CID 91665053
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one (CID 15210346) is 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one is COc1cc2nc(N)oc(=O)c2cc1OC.
What is the InChIKey of 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one?
The InChIKey is LQNUYTMEPOEWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-14-7-3-5-6(4-8(7)15-2)12-10(11)16-9(5)13/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one?
2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one has a molecular weight of 222.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 15210346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).