6-chloro-1-methoxy-3-methylisoquinolin-4-amine

C11H11ClN2O — CID 84687979

IUPAC6-chloro-1-methoxy-3-methylisoquinolin-4-amine
SMILESCOc1nc(C)c(N)c2cc(Cl)ccc12
InChIInChI=1S/C11H11ClN2O/c1-6-10(13)9-5-7(12)3-4-8(9)11(14-6)15-2/h3-5H,13H2,1-2H3
InChIKeyAQWMUZFNHCSGDG-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.79
Rot. Bonds1

About 6-chloro-1-methoxy-3-methylisoquinolin-4-amine

6-chloro-1-methoxy-3-methylisoquinolin-4-amine (PubChem CID 84687979) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 6-chloro-1-methoxy-3-methylisoquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-1-methoxy-3-methylisoquinolin-4-amine
PubChem CID84687979
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name6-chloro-1-methoxy-3-methylisoquinolin-4-amine
SMILESCOc1nc(C)c(N)c2cc(Cl)ccc12
InChIInChI=1S/C11H11ClN2O/c1-6-10(13)9-5-7(12)3-4-8(9)11(14-6)15-2/h3-5H,13H2,1-2H3
InChIKeyAQWMUZFNHCSGDG-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-methylquinolin-4-amine
CID 121236621
4-tert-butyl-6-chloro-1-methoxyisoquinoline
CID 167341700
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine
CID 142619023
(5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid
CID 91658787
4,7-dichloro-2-methoxyquinoline
CID 21101818
4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one
CID 84676451
7-chloro-4-methoxy-2-methylquinoline
CID 82581159
2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine
CID 114043547
4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 98021439
6-chloronaphthalene-1,4-diamine
CID 21424529
4,7-dichloroisoquinolin-1-amine
CID 133054133

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methoxy-3-methylisoquinolin-4-amine?
The IUPAC name of 6-chloro-1-methoxy-3-methylisoquinolin-4-amine (CID 84687979) is 6-chloro-1-methoxy-3-methylisoquinolin-4-amine.
What is the SMILES notation for 6-chloro-1-methoxy-3-methylisoquinolin-4-amine?
The canonical SMILES for 6-chloro-1-methoxy-3-methylisoquinolin-4-amine is COc1nc(C)c(N)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-methoxy-3-methylisoquinolin-4-amine?
The InChIKey is AQWMUZFNHCSGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-6-10(13)9-5-7(12)3-4-8(9)11(14-6)15-2/h3-5H,13H2,1-2H3.
What are the key properties of 6-chloro-1-methoxy-3-methylisoquinolin-4-amine?
6-chloro-1-methoxy-3-methylisoquinolin-4-amine has a molecular weight of 222.68 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methoxy-3-methylisoquinolin-4-amine is sourced from PubChem (CID 84687979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).