(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride

C11H19Cl2N3O — CID 67935687

IUPAC(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride
SMILESCN1CCC[C@@H]2Cc3nc(N)oc3C[C@H]21.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-14-4-2-3-7-5-8-10(6-9(7)14)15-11(12)13-8;;/h7,9H,2-6H2,1H3,(H2,12,13);2*1H/t7-,9-;;/m1../s1
InChIKeyOREKIZNTVXAUMC-QRUOIXDJSA-N
MW280.20 g/mol
LogP1.91
Rot. Bonds

About (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride

(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride (PubChem CID 67935687) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride
PubChem CID67935687
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride
SMILESCN1CCC[C@@H]2Cc3nc(N)oc3C[C@H]21.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-14-4-2-3-7-5-8-10(6-9(7)14)15-11(12)13-8;;/h7,9H,2-6H2,1H3,(H2,12,13);2*1H/t7-,9-;;/m1../s1
InChIKeyOREKIZNTVXAUMC-QRUOIXDJSA-N
XLogP1.91
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride?
The IUPAC name of (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride (CID 67935687) is (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride.
What is the SMILES notation for (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride?
The canonical SMILES for (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride is CN1CCC[C@@H]2Cc3nc(N)oc3C[C@H]21.Cl.Cl.
What is the InChIKey of (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride?
The InChIKey is OREKIZNTVXAUMC-QRUOIXDJSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-14-4-2-3-7-5-8-10(6-9(7)14)15-11(12)13-8;;/h7,9H,2-6H2,1H3,(H2,12,13);2*1H/t7-,9-;;/m1../s1.
What are the key properties of (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride?
(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride is sourced from PubChem (CID 67935687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).