5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline

C15H19N3O — CID 106542347

IUPAC5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
SMILESCOc1cccc2c(N3CCNCC3C)nccc12
InChIInChI=1S/C15H19N3O/c1-11-10-16-8-9-18(11)15-13-4-3-5-14(19-2)12(13)6-7-17-15/h3-7,11,16H,8-10H2,1-2H3
InChIKeyRWJDVYKSMGBYFO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds2

About 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline

5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline (PubChem CID 106542347) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline.

Molecular Properties

Compound Name5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
PubChem CID106542347
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
SMILESCOc1cccc2c(N3CCNCC3C)nccc12
InChIInChI=1S/C15H19N3O/c1-11-10-16-8-9-18(11)15-13-4-3-5-14(19-2)12(13)6-7-17-15/h3-7,11,16H,8-10H2,1-2H3
InChIKeyRWJDVYKSMGBYFO-UHFFFAOYSA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
4-(2-methylpiperazin-1-yl)quinazoline
CID 62673888
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008133
1-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 94546211
1-chloro-4-[(2S)-2-methylpiperazin-1-yl]phthalazine
CID 174635973
4-methoxy-2-(2-methylpiperazin-1-yl)pyrimidine
CID 62672840
1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
CID 106540539
5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106542351

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline?
The IUPAC name of 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline (CID 106542347) is 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline.
What is the SMILES notation for 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline?
The canonical SMILES for 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline is COc1cccc2c(N3CCNCC3C)nccc12.
What is the InChIKey of 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline?
The InChIKey is RWJDVYKSMGBYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-10-16-8-9-18(11)15-13-4-3-5-14(19-2)12(13)6-7-17-15/h3-7,11,16H,8-10H2,1-2H3.
What are the key properties of 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline?
5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline has a molecular weight of 257.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline is sourced from PubChem (CID 106542347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).