6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile

C11H12N2O — CID 102340504

IUPAC6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
SMILESCOc1ccc2c(c1)CCNC2C#N
InChIInChI=1S/C11H12N2O/c1-14-9-2-3-10-8(6-9)4-5-13-11(10)7-12/h2-3,6,11,13H,4-5H2,1H3
InChIKeyGMQQCGLOUKRCIE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.41
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile

6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile (PubChem CID 102340504) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
PubChem CID102340504
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
SMILESCOc1ccc2c(c1)CCNC2C#N
InChIInChI=1S/C11H12N2O/c1-14-9-2-3-10-8(6-9)4-5-13-11(10)7-12/h2-3,6,11,13H,4-5H2,1H3
InChIKeyGMQQCGLOUKRCIE-UHFFFAOYSA-N
XLogP1.41
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 3471481
5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 154454244
1-(5-chloro-2-methoxy-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3965656

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile (CID 102340504) is 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile is COc1ccc2c(c1)CCNC2C#N.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
The InChIKey is GMQQCGLOUKRCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-9-2-3-10-8(6-9)4-5-13-11(10)7-12/h2-3,6,11,13H,4-5H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile is sourced from PubChem (CID 102340504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).