3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol

C16H22N2O3 — CID 106539656

IUPAC3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
SMILESCOc1cc2ccnc(NC(C)C(C)CO)c2cc1OC
InChIInChI=1S/C16H22N2O3/c1-10(9-19)11(2)18-16-13-8-15(21-4)14(20-3)7-12(13)5-6-17-16/h5-8,10-11,19H,9H2,1-4H3,(H,17,18)
InChIKeyYBDSVVGYZUNBFT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.68
Rot. Bonds6

About 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol

3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol (PubChem CID 106539656) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
PubChem CID106539656
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
SMILESCOc1cc2ccnc(NC(C)C(C)CO)c2cc1OC
InChIInChI=1S/C16H22N2O3/c1-10(9-19)11(2)18-16-13-8-15(21-4)14(20-3)7-12(13)5-6-17-16/h5-8,10-11,19H,9H2,1-4H3,(H,17,18)
InChIKeyYBDSVVGYZUNBFT-UHFFFAOYSA-N
XLogP2.68
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol with MolForge

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Related Compounds

2-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-1-ol
CID 106539049
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-2-ol
CID 106539852
1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540624
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol
CID 106539720
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
N-(4-chloro-3-methylbutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543101
N-(6,7-dimethoxyisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543452
2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol
CID 106541350
N-(2-chlorobutyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106543113
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol (CID 106539656) is 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol is COc1cc2ccnc(NC(C)C(C)CO)c2cc1OC.
What is the InChIKey of 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol?
The InChIKey is YBDSVVGYZUNBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(9-19)11(2)18-16-13-8-15(21-4)14(20-3)7-12(13)5-6-17-16/h5-8,10-11,19H,9H2,1-4H3,(H,17,18).
What are the key properties of 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol?
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 106539656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).