6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one

C10H12N2O2 — CID 82229995

IUPAC6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(N)c(C)c2c1OCC(=O)N2
InChIInChI=1S/C10H12N2O2/c1-5-3-7(11)6(2)9-10(5)14-4-8(13)12-9/h3H,4,11H2,1-2H3,(H,12,13)
InChIKeyDUTKKMCRLLKGIE-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.22
Rot. Bonds

About 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one

6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one (PubChem CID 82229995) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one
PubChem CID82229995
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(N)c(C)c2c1OCC(=O)N2
InChIInChI=1S/C10H12N2O2/c1-5-3-7(11)6(2)9-10(5)14-4-8(13)12-9/h3H,4,11H2,1-2H3,(H,12,13)
InChIKeyDUTKKMCRLLKGIE-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one
CID 82230416
5-amino-7-tert-butyl-4H-1,4-benzoxazin-3-one
CID 84740302
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
6-amino-5,7-dichloro-4H-1,4-benzoxazin-3-one
CID 82231475
6-amino-8-bromo-4H-1,4-benzoxazin-3-one
CID 82231984
9-amino-1,4-benzoxazepine-3,5-dione
CID 131172420
7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 139270783
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
CID 19908782
8-bromo-6-tert-butyl-4H-1,4-benzoxazin-3-one
CID 50878735
dimethyl 3-(8-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632378

Frequently Asked Questions

What is the IUPAC name of 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one (CID 82229995) is 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one is Cc1cc(N)c(C)c2c1OCC(=O)N2.
What is the InChIKey of 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one?
The InChIKey is DUTKKMCRLLKGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-5-3-7(11)6(2)9-10(5)14-4-8(13)12-9/h3H,4,11H2,1-2H3,(H,12,13).
What are the key properties of 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one?
6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one has a molecular weight of 192.22 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82229995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).