1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline

C17H15NO3 — CID 67599557

IUPAC1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(C=Cc3ccco3)c2cc1OC
InChIInChI=1S/C17H15NO3/c1-19-16-10-12-7-8-18-15(14(12)11-17(16)20-2)6-5-13-4-3-9-21-13/h3-11H,1-2H3
InChIKeyQQVDCRLVTLUWTL-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.02
Rot. Bonds4

About 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline

1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline (PubChem CID 67599557) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline
PubChem CID67599557
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(C=Cc3ccco3)c2cc1OC
InChIInChI=1S/C17H15NO3/c1-19-16-10-12-7-8-18-15(14(12)11-17(16)20-2)6-5-13-4-3-9-21-13/h3-11H,1-2H3
InChIKeyQQVDCRLVTLUWTL-UHFFFAOYSA-N
XLogP4.02
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate
CID 141364415
6,7-dimethoxy-1-methylisoquinoline
CID 20725
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177
2-[(E)-2-(4-methoxyphenyl)ethenyl]furan
CID 11052638
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 26434973
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
CID 46915406
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
CID 141364342
1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
CID 3029064
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline?
The IUPAC name of 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline (CID 67599557) is 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline?
The canonical SMILES for 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline is COc1cc2ccnc(C=Cc3ccco3)c2cc1OC.
What is the InChIKey of 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline?
The InChIKey is QQVDCRLVTLUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-16-10-12-7-8-18-15(14(12)11-17(16)20-2)6-5-13-4-3-9-21-13/h3-11H,1-2H3.
What are the key properties of 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline?
1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline has a molecular weight of 281.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethenyl]-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 67599557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).