8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline

C15H22ClNO — CID 174381587

IUPAC8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2ccc(OC)c(Cl)c2C1
InChIInChI=1S/C15H22ClNO/c1-3-4-5-9-17-10-8-12-6-7-14(18-2)15(16)13(12)11-17/h6-7H,3-5,8-11H2,1-2H3
InChIKeyYUIFKPWGVKTMDX-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.90
Rot. Bonds5

About 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline

8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline (PubChem CID 174381587) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
PubChem CID174381587
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2ccc(OC)c(Cl)c2C1
InChIInChI=1S/C15H22ClNO/c1-3-4-5-9-17-10-8-12-6-7-14(18-2)15(16)13(12)11-17/h6-7H,3-5,8-11H2,1-2H3
InChIKeyYUIFKPWGVKTMDX-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450217
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
8-bromo-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline;4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 174343825
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
2-dodecyl-3,4-dihydro-1H-isoquinoline-6,7,8-triol;hydrobromide
CID 141100789
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]butan-1-amine
CID 62573755
4-chloro-5-methoxy-1-methyl-2,3-dihydroindole
CID 59465689
2-heptyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559333
2-(2-decoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 133083999

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline (CID 174381587) is 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline is CCCCCN1CCc2ccc(OC)c(Cl)c2C1.
What is the InChIKey of 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YUIFKPWGVKTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-4-5-9-17-10-8-12-6-7-14(18-2)15(16)13(12)11-17/h6-7H,3-5,8-11H2,1-2H3.
What are the key properties of 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 267.80 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174381587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).