(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C15H18ClNO3 — CID 168869332

IUPAC(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)[C@H](c1ccoc1)NCC2.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-17-13-7-10-3-5-16-15(11-4-6-19-9-11)12(10)8-14(13)18-2;/h4,6-9,15-16H,3,5H2,1-2H3;1H/t15-;/m0./s1
InChIKeyQVVCGFHRCGOVBS-RSAXXLAASA-N
MW295.77 g/mol
LogP2.95
Rot. Bonds3

About (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 168869332) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID168869332
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)[C@H](c1ccoc1)NCC2.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-17-13-7-10-3-5-16-15(11-4-6-19-9-11)12(10)8-14(13)18-2;/h4,6-9,15-16H,3,5H2,1-2H3;1H/t15-;/m0./s1
InChIKeyQVVCGFHRCGOVBS-RSAXXLAASA-N
XLogP2.95
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 96980269
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225
1-(4-ethylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3248607
1-(4-chlorophenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485258
4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-hydroxybenzeneamine oxide
CID 163132687
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
1-(4-bromophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5105093

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 168869332) is (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is COc1cc2c(cc1OC)[C@H](c1ccoc1)NCC2.Cl.
What is the InChIKey of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is QVVCGFHRCGOVBS-RSAXXLAASA-N. The full InChI is InChI=1S/C15H17NO3.ClH/c1-17-13-7-10-3-5-16-15(11-4-6-19-9-11)12(10)8-14(13)18-2;/h4,6-9,15-16H,3,5H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 168869332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).