6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline

C16H25NO2 — CID 22673

IUPAC6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H25NO2/c1-4-5-6-8-17-9-7-13-10-15(18-2)16(19-3)11-14(13)12-17/h10-11H,4-9,12H2,1-3H3
InChIKeyCVKFQOMRMUQNAA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.25
Rot. Bonds6

About 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline (PubChem CID 22673) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
PubChem CID22673
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H25NO2/c1-4-5-6-8-17-9-7-13-10-15(18-2)16(19-3)11-14(13)12-17/h10-11H,4-9,12H2,1-3H3
InChIKeyCVKFQOMRMUQNAA-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]butan-1-amine
CID 62573755
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801127
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
6,7-dimethoxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 162476741
6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450217
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
CID 109031254
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 63028126

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline (CID 22673) is 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline is CCCCCN1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CVKFQOMRMUQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-6-8-17-9-7-13-10-15(18-2)16(19-3)11-14(13)12-17/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 263.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).