2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride

C16H22Cl2N6O — CID 154888430

IUPAC2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride
SMILESCCc1nc(CN(C)c2nc(CCN)nc3ccccc23)no1.Cl.Cl
InChIInChI=1S/C16H20N6O.2ClH/c1-3-15-19-14(21-23-15)10-22(2)16-11-6-4-5-7-12(11)18-13(20-16)8-9-17;;/h4-7H,3,8-10,17H2,1-2H3;2*1H
InChIKeyVMLSRBMXCADOHY-UHFFFAOYSA-N
MW385.30 g/mol
LogP2.56
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride

2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride (PubChem CID 154888430) has the molecular formula C16H22Cl2N6O and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride
PubChem CID154888430
Molecular FormulaC16H22Cl2N6O
Molecular Weight385.30 g/mol
Exact Mass384.12
IUPAC Name2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride
SMILESCCc1nc(CN(C)c2nc(CCN)nc3ccccc23)no1.Cl.Cl
InChIInChI=1S/C16H20N6O.2ClH/c1-3-15-19-14(21-23-15)10-22(2)16-11-6-4-5-7-12(11)18-13(20-16)8-9-17;;/h4-7H,3,8-10,17H2,1-2H3;2*1H
InChIKeyVMLSRBMXCADOHY-UHFFFAOYSA-N
XLogP2.56
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride (CID 154888430) is 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride is CCc1nc(CN(C)c2nc(CCN)nc3ccccc23)no1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride?
The InChIKey is VMLSRBMXCADOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.2ClH/c1-3-15-19-14(21-23-15)10-22(2)16-11-6-4-5-7-12(11)18-13(20-16)8-9-17;;/h4-7H,3,8-10,17H2,1-2H3;2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride?
2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride has a molecular weight of 385.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 154888430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).