7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine

C14H18N2O2S — CID 106539651

IUPAC7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC(C)S(C)=O)c2c1
InChIInChI=1S/C14H18N2O2S/c1-10(19(3)17)9-16-14-13-8-12(18-2)5-4-11(13)6-7-15-14/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyDZHPMJAFFMTZED-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.42
Rot. Bonds5

About 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine

7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine (PubChem CID 106539651) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
PubChem CID106539651
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC(C)S(C)=O)c2c1
InChIInChI=1S/C14H18N2O2S/c1-10(19(3)17)9-16-14-13-8-12(18-2)5-4-11(13)6-7-15-14/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyDZHPMJAFFMTZED-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
N-(3-chloro-2-methylpropyl)-7-methoxyisoquinolin-1-amine
CID 106542770
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-3-methylbutanoic acid
CID 106536242
N-(2-methylsulfinylpropyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539645
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
5-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539648
N-(2-chloro-4,4-dimethylpentyl)-7-methoxyisoquinolin-1-amine
CID 107156112
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
CID 106541080
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine (CID 106539651) is 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine is COc1ccc2ccnc(NCC(C)S(C)=O)c2c1.
What is the InChIKey of 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine?
The InChIKey is DZHPMJAFFMTZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(19(3)17)9-16-14-13-8-12(18-2)5-4-11(13)6-7-15-14/h4-8,10H,9H2,1-3H3,(H,15,16).
What are the key properties of 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine?
7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine has a molecular weight of 278.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine is sourced from PubChem (CID 106539651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).