1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride

C13H12ClNO — CID 2870925

IUPAC1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride
SMILESCl.c1coc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C13H11NO.ClH/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;/h1-6,9H,7-8H2;1H
InChIKeyWFEKFYYRUVWXGE-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.09
Rot. Bonds1

About 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride

1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 2870925) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride
PubChem CID2870925
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride
SMILESCl.c1coc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C13H11NO.ClH/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;/h1-6,9H,7-8H2;1H
InChIKeyWFEKFYYRUVWXGE-UHFFFAOYSA-N
XLogP3.09
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Pentoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone
CID 9973373
3-Furan-2-yl-3,4-dihydro-isoquinolin-1-ylamine
CID 11075828
[6-(3-Methylbut-2-enoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
CID 11012614
1-(Furan-2-yl)-3,4-dihydroisoquinoline
CID 873979
[6-[(E)-but-2-enoxy]-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
CID 11808912
2-Benzoylfuran oxime
CID 5837094
N-[(E)-2-Furylmethylidene]-2-phenylethanamine
CID 572635
1-[2-(Furan-2-yl)phenyl]methanamine hydrochloride
CID 154577560
2-(2-Furanyl)-3,4,5,6-tetrahydropyridine
CID 91748327
4-(2-Furylmethylene)-3-(2-methylphenyl)isoxazol-5-one
CID 5390685
1-(Furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 135078342
Furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine
CID 166442110

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride (CID 2870925) is 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride is Cl.c1coc(C2=NCCc3ccccc32)c1.
What is the InChIKey of 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is WFEKFYYRUVWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.ClH/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;/h1-6,9H,7-8H2;1H.
What are the key properties of 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride?
1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 2870925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).