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

C15H20N2O3 — CID 106539720

IUPAC1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol
SMILESCCC(O)CNc1nccc2cc(OC)c(OC)cc12
InChIInChI=1S/C15H20N2O3/c1-4-11(18)9-17-15-12-8-14(20-3)13(19-2)7-10(12)5-6-16-15/h5-8,11,18H,4,9H2,1-3H3,(H,16,17)
InChIKeySCMOHDVMXGXWRC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds6

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

1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol (PubChem CID 106539720) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol
PubChem CID106539720
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol
SMILESCCC(O)CNc1nccc2cc(OC)c(OC)cc12
InChIInChI=1S/C15H20N2O3/c1-4-11(18)9-17-15-12-8-14(20-3)13(19-2)7-10(12)5-6-16-15/h5-8,11,18H,4,9H2,1-3H3,(H,16,17)
InChIKeySCMOHDVMXGXWRC-UHFFFAOYSA-N
XLogP2.43
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorobutyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106543113
1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540624
1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
CID 106543554
N-(6,7-dimethoxyisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543452
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-2-ol
CID 106539852
N'-(6,7-dimethoxyisoquinolin-1-yl)-2,2-difluoropropane-1,3-diamine
CID 106541100
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]ethylurea
CID 106539333
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-1-ol
CID 106539049
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
CID 106539656

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol?
The IUPAC name of 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol (CID 106539720) is 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol is CCC(O)CNc1nccc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol?
The InChIKey is SCMOHDVMXGXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-11(18)9-17-15-12-8-14(20-3)13(19-2)7-10(12)5-6-16-15/h5-8,11,18H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol?
1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol is sourced from PubChem (CID 106539720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).