6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine

C16H18N4O — CID 163489026

IUPAC6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(N(C)C)nc(-c3nccn3C)cc2c1
InChIInChI=1S/C16H18N4O/c1-19(2)15-13-6-5-12(21-4)9-11(13)10-14(18-15)16-17-7-8-20(16)3/h5-10H,1-4H3
InChIKeyCKZVYOGYLASOPC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.71
Rot. Bonds3

About 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine

6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine (PubChem CID 163489026) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine
PubChem CID163489026
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(N(C)C)nc(-c3nccn3C)cc2c1
InChIInChI=1S/C16H18N4O/c1-19(2)15-13-6-5-12(21-4)9-11(13)10-14(18-15)16-17-7-8-20(16)3/h5-10H,1-4H3
InChIKeyCKZVYOGYLASOPC-UHFFFAOYSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride
CID 158814278
2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235
4-methoxy-2-(1-methylimidazol-2-yl)phenol
CID 136869285
dichloroosmium;4-methoxy-2-(1-methylimidazol-2-yl)pyridine;4-methyl-2-(1-methylimidazol-2-yl)pyridine
CID 143879695
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N-(2-bromo-3-methoxypropyl)-6-methoxy-N-methylisoquinolin-1-amine
CID 106542944
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine
CID 56743928
3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
1-bromo-6-methoxy-3-methylisoquinoline
CID 165441613

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine (CID 163489026) is 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine is COc1ccc2c(N(C)C)nc(-c3nccn3C)cc2c1.
What is the InChIKey of 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine?
The InChIKey is CKZVYOGYLASOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19(2)15-13-6-5-12(21-4)9-11(13)10-14(18-15)16-17-7-8-20(16)3/h5-10H,1-4H3.
What are the key properties of 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine?
6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-3-(1-methylimidazol-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 163489026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).