3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol

C16H22N2O2 — CID 106171338

IUPAC3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc2ccc(OC)cc12
InChIInChI=1S/C16H22N2O2/c1-4-16(2,8-10-19)18-15-14-11-13(20-3)6-5-12(14)7-9-17-15/h5-7,9,11,19H,4,8,10H2,1-3H3,(H,17,18)
InChIKeyLBAFLEIXFSPILA-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.21
Rot. Bonds6

About 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol

3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol (PubChem CID 106171338) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
PubChem CID106171338
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc2ccc(OC)cc12
InChIInChI=1S/C16H22N2O2/c1-4-16(2,8-10-19)18-15-14-11-13(20-3)6-5-12(14)7-9-17-15/h5-7,9,11,19H,4,8,10H2,1-3H3,(H,17,18)
InChIKeyLBAFLEIXFSPILA-UHFFFAOYSA-N
XLogP3.21
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
2-[(7-methoxyisoquinolin-1-yl)amino]-2-methylpentanoic acid
CID 106535969
3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
CID 106171503
2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 107866247
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-2-methylbutanoic acid
CID 106536428
3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 106171144
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543374
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
CID 106539212
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol (CID 106171338) is 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1nccc2ccc(OC)cc12.
What is the InChIKey of 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol?
The InChIKey is LBAFLEIXFSPILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(2,8-10-19)18-15-14-11-13(20-3)6-5-12(14)7-9-17-15/h5-7,9,11,19H,4,8,10H2,1-3H3,(H,17,18).
What are the key properties of 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol?
3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106171338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).