6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine

C12H11N3O — CID 28809276

IUPAC6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine
SMILESCc1cc(C)c2nc3onc(N)c3cc2c1
InChIInChI=1S/C12H11N3O/c1-6-3-7(2)10-8(4-6)5-9-11(13)15-16-12(9)14-10/h3-5H,1-2H3,(H2,13,15)
InChIKeySOODHBXDBCRHFD-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.58
Rot. Bonds

About 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine

6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine (PubChem CID 28809276) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine.

Molecular Properties

Compound Name6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine
PubChem CID28809276
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine
SMILESCc1cc(C)c2nc3onc(N)c3cc2c1
InChIInChI=1S/C12H11N3O/c1-6-3-7(2)10-8(4-6)5-9-11(13)15-16-12(9)14-10/h3-5H,1-2H3,(H2,13,15)
InChIKeySOODHBXDBCRHFD-UHFFFAOYSA-N
XLogP2.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine
CID 28809292
3,6,8-trimethylquinoline
CID 15109946
methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
CID 155547827
carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 162110505
4-iodo-5-(2,4,6-trimethylphenyl)-1,2-oxazol-3-amine
CID 79556137
5-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 130311058
3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 1442795
6-methoxy-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 83668453
6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 118867635
3,5,7-trimethylquinolin-2-amine;hydrochloride
CID 43865999
2-tert-butyl-6,8-dimethylquinolin-4-amine
CID 62201635
4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82469635

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine?
The IUPAC name of 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine (CID 28809276) is 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine.
What is the SMILES notation for 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine?
The canonical SMILES for 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine is Cc1cc(C)c2nc3onc(N)c3cc2c1.
What is the InChIKey of 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine?
The InChIKey is SOODHBXDBCRHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-6-3-7(2)10-8(4-6)5-9-11(13)15-16-12(9)14-10/h3-5H,1-2H3,(H2,13,15).
What are the key properties of 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine?
6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine is sourced from PubChem (CID 28809276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).