(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

C16H18N2O2 — CID 745498

IUPAC(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccncc1)NCC2
InChIInChI=1S/C16H18N2O2/c1-19-14-9-12-5-8-18-16(11-3-6-17-7-4-11)13(12)10-15(14)20-2/h3-4,6-7,9-10,16,18H,5,8H2,1-2H3/t16-/m1/s1
InChIKeyWIVDOYBBFRXHHK-MRXNPFEDSA-N
MW270.33 g/mol
LogP2.33
Rot. Bonds3

About (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 745498) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID745498
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccncc1)NCC2
InChIInChI=1S/C16H18N2O2/c1-19-14-9-12-5-8-18-16(11-3-6-17-7-4-11)13(12)10-15(14)20-2/h3-4,6-7,9-10,16,18H,5,8H2,1-2H3/t16-/m1/s1
InChIKeyWIVDOYBBFRXHHK-MRXNPFEDSA-N
XLogP2.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

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
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 96980269
4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-hydroxybenzeneamine oxide
CID 163132687
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869332
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
7-ethoxy-6-methoxy-1-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 3261265
(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 14198574
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

Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (CID 745498) is (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)[C@@H](c1ccncc1)NCC2.
What is the InChIKey of (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WIVDOYBBFRXHHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-14-9-12-5-8-18-16(11-3-6-17-7-4-11)13(12)10-15(14)20-2/h3-4,6-7,9-10,16,18H,5,8H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 270.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 745498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).