6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride

C12H15ClN2O2 — CID 91665053

IUPAC6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
SMILESCOc1cc2nc(C)cc(N)c2cc1OC.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-7-4-9(13)8-5-11(15-2)12(16-3)6-10(8)14-7;/h4-6H,1-3H3,(H2,13,14);1H
InChIKeyFVODNCIJXORXAN-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.56
Rot. Bonds2

About 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride

6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride (PubChem CID 91665053) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
PubChem CID91665053
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride
SMILESCOc1cc2nc(C)cc(N)c2cc1OC.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-7-4-9(13)8-5-11(15-2)12(16-3)6-10(8)14-7;/h4-6H,1-3H3,(H2,13,14);1H
InChIKeyFVODNCIJXORXAN-UHFFFAOYSA-N
XLogP2.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride (CID 91665053) is 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride is COc1cc2nc(C)cc(N)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is FVODNCIJXORXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c1-7-4-9(13)8-5-11(15-2)12(16-3)6-10(8)14-7;/h4-6H,1-3H3,(H2,13,14);1H.
What are the key properties of 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride?
6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 91665053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).