5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine

C12H11N3O3 — CID 28809389

IUPAC5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine
SMILESCOc1ccc(OC)c2nc3noc(N)c3cc12
InChIInChI=1S/C12H11N3O3/c1-16-8-3-4-9(17-2)10-6(8)5-7-11(13)18-15-12(7)14-10/h3-5H,13H2,1-2H3
InChIKeyBNBMZQMPXMCVGJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.98
Rot. Bonds2

About 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine

5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine (PubChem CID 28809389) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine.

Molecular Properties

Compound Name5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine
PubChem CID28809389
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine
SMILESCOc1ccc(OC)c2nc3noc(N)c3cc12
InChIInChI=1S/C12H11N3O3/c1-16-8-3-4-9(17-2)10-6(8)5-7-11(13)18-15-12(7)14-10/h3-5H,13H2,1-2H3
InChIKeyBNBMZQMPXMCVGJ-UHFFFAOYSA-N
XLogP1.98
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine?
The IUPAC name of 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine (CID 28809389) is 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine.
What is the SMILES notation for 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine?
The canonical SMILES for 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine is COc1ccc(OC)c2nc3noc(N)c3cc12.
What is the InChIKey of 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine?
The InChIKey is BNBMZQMPXMCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-16-8-3-4-9(17-2)10-6(8)5-7-11(13)18-15-12(7)14-10/h3-5H,13H2,1-2H3.
What are the key properties of 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine?
5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine has a molecular weight of 245.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-[1,2]oxazolo[3,4-b]quinolin-3-amine is sourced from PubChem (CID 28809389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).