5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine

C15H20N4O — CID 106539308

IUPAC5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine
SMILESCOc1cccc2c(NN3CCN(C)CC3)nccc12
InChIInChI=1S/C15H20N4O/c1-18-8-10-19(11-9-18)17-15-13-4-3-5-14(20-2)12(13)6-7-16-15/h3-7H,8-11H2,1-2H3,(H,16,17)
InChIKeyGFBPQZDLRSDJMJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds3

About 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine

5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine (PubChem CID 106539308) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine
PubChem CID106539308
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine
SMILESCOc1cccc2c(NN3CCN(C)CC3)nccc12
InChIInChI=1S/C15H20N4O/c1-18-8-10-19(11-9-18)17-15-13-4-3-5-14(20-2)12(13)6-7-16-15/h3-7H,8-11H2,1-2H3,(H,16,17)
InChIKeyGFBPQZDLRSDJMJ-UHFFFAOYSA-N
XLogP1.82
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106538538
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
CID 106538817
5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 83027699

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine (CID 106539308) is 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine is COc1cccc2c(NN3CCN(C)CC3)nccc12.
What is the InChIKey of 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
The InChIKey is GFBPQZDLRSDJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-8-10-19(11-9-18)17-15-13-4-3-5-14(20-2)12(13)6-7-16-15/h3-7H,8-11H2,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine has a molecular weight of 272.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine is sourced from PubChem (CID 106539308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).