7-methoxy-1-piperazin-1-ylisoquinoline

C14H17N3O — CID 23155836

IUPAC7-methoxy-1-piperazin-1-ylisoquinoline
SMILESCOc1ccc2ccnc(N3CCNCC3)c2c1
InChIInChI=1S/C14H17N3O/c1-18-12-3-2-11-4-5-16-14(13(11)10-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyPMOVKOALWPCHOG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.65
Rot. Bonds2

About 7-methoxy-1-piperazin-1-ylisoquinoline

7-methoxy-1-piperazin-1-ylisoquinoline (PubChem CID 23155836) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-methoxy-1-piperazin-1-ylisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-piperazin-1-ylisoquinoline
PubChem CID23155836
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name7-methoxy-1-piperazin-1-ylisoquinoline
SMILESCOc1ccc2ccnc(N3CCNCC3)c2c1
InChIInChI=1S/C14H17N3O/c1-18-12-3-2-11-4-5-16-14(13(11)10-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyPMOVKOALWPCHOG-UHFFFAOYSA-N
XLogP1.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106536915
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
CID 106537108
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
6-ethyl-1-piperazin-1-ylisoquinoline
CID 82276441
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
CID 121236560
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-piperazin-1-ylisoquinoline?
The IUPAC name of 7-methoxy-1-piperazin-1-ylisoquinoline (CID 23155836) is 7-methoxy-1-piperazin-1-ylisoquinoline.
What is the SMILES notation for 7-methoxy-1-piperazin-1-ylisoquinoline?
The canonical SMILES for 7-methoxy-1-piperazin-1-ylisoquinoline is COc1ccc2ccnc(N3CCNCC3)c2c1.
What is the InChIKey of 7-methoxy-1-piperazin-1-ylisoquinoline?
The InChIKey is PMOVKOALWPCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-12-3-2-11-4-5-16-14(13(11)10-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 7-methoxy-1-piperazin-1-ylisoquinoline?
7-methoxy-1-piperazin-1-ylisoquinoline has a molecular weight of 243.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-piperazin-1-ylisoquinoline is sourced from PubChem (CID 23155836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).