3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride

C18H20ClN3O — CID 24801852

IUPAC3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride
SMILESCOc1cccc(-c2cc3ccc(N(C)C)cc3c(N)n2)c1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-21(2)14-8-7-12-10-17(20-18(19)16(12)11-14)13-5-4-6-15(9-13)22-3;/h4-11H,1-3H3,(H2,19,20);1H
InChIKeyGEJYDUGOJFKIMK-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.98
Rot. Bonds3

About 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride

3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride (PubChem CID 24801852) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride
PubChem CID24801852
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride
SMILESCOc1cccc(-c2cc3ccc(N(C)C)cc3c(N)n2)c1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-21(2)14-8-7-12-10-17(20-18(19)16(12)11-14)13-5-4-6-15(9-13)22-3;/h4-11H,1-3H3,(H2,19,20);1H
InChIKeyGEJYDUGOJFKIMK-UHFFFAOYSA-N
XLogP3.98
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride (CID 24801852) is 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride is COc1cccc(-c2cc3ccc(N(C)C)cc3c(N)n2)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride?
The InChIKey is GEJYDUGOJFKIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-21(2)14-8-7-12-10-17(20-18(19)16(12)11-14)13-5-4-6-15(9-13)22-3;/h4-11H,1-3H3,(H2,19,20);1H.
What are the key properties of 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride?
3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride is sourced from PubChem (CID 24801852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).