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

C13H16N2O4 — CID 72702660

IUPAC6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(NC(C)C)oc(=O)c2cc1OC
InChIInChI=1S/C13H16N2O4/c1-7(2)14-13-15-9-6-11(18-4)10(17-3)5-8(9)12(16)19-13/h5-7H,1-4H3,(H,14,15)
InChIKeyYRRJFSINKKPNDM-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.03
Rot. Bonds4

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

6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one (PubChem CID 72702660) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one
PubChem CID72702660
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(NC(C)C)oc(=O)c2cc1OC
InChIInChI=1S/C13H16N2O4/c1-7(2)14-13-15-9-6-11(18-4)10(17-3)5-8(9)12(16)19-13/h5-7H,1-4H3,(H,14,15)
InChIKeyYRRJFSINKKPNDM-UHFFFAOYSA-N
XLogP2.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 15210346
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-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
6,7-dimethoxy-2-(4-methylphenyl)-3,1-benzoxazin-4-one
CID 678968
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
N-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-methylbutanamide
CID 17172080
2-[2,4-di(propan-2-yl)phenyl]-6-ethoxy-7-methoxy-3,1-benzoxazin-4-one
CID 25400595
6,7-dimethoxy-2-(thiophen-2-ylmethyl)-3,1-benzoxazin-4-one
CID 17390898
2-[(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
CID 1238236
8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 54383188
2-[(4-tert-butylphenoxy)methyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 3444766

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one?
The IUPAC name of 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one (CID 72702660) is 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one is COc1cc2nc(NC(C)C)oc(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one?
The InChIKey is YRRJFSINKKPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7(2)14-13-15-9-6-11(18-4)10(17-3)5-8(9)12(16)19-13/h5-7H,1-4H3,(H,14,15).
What are the key properties of 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one?
6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one has a molecular weight of 264.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(propan-2-ylamino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 72702660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).