2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline

C20H25NO2 — CID 3009244

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(CCC2CCc3ccccc3N2C)cc1OC
InChIInChI=1S/C20H25NO2/c1-21-17(12-10-16-6-4-5-7-18(16)21)11-8-15-9-13-19(22-2)20(14-15)23-3/h4-7,9,13-14,17H,8,10-12H2,1-3H3
InChIKeyMBIROIXKTFTFJX-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 3009244) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID3009244
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(CCC2CCc3ccccc3N2C)cc1OC
InChIInChI=1S/C20H25NO2/c1-21-17(12-10-16-6-4-5-7-18(16)21)11-8-15-9-13-19(22-2)20(14-15)23-3/h4-7,9,13-14,17H,8,10-12H2,1-3H3
InChIKeyMBIROIXKTFTFJX-UHFFFAOYSA-N
XLogP4.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline (CID 3009244) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline is COc1ccc(CCC2CCc3ccccc3N2C)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is MBIROIXKTFTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21-17(12-10-16-6-4-5-7-18(16)21)11-8-15-9-13-19(22-2)20(14-15)23-3/h4-7,9,13-14,17H,8,10-12H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline?
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 311.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3009244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).