6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

C18H21NO2 — CID 82784751

IUPAC6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(-c2ccc3c(c2)CCC(C)N3)c1OC
InChIInChI=1S/C18H21NO2/c1-12-7-8-14-11-13(9-10-16(14)19-12)15-5-4-6-17(20-2)18(15)21-3/h4-6,9-12,19H,7-8H2,1-3H3
InChIKeyDKOJIAAOLLNTBI-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.12
Rot. Bonds3

About 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 82784751) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID82784751
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(-c2ccc3c(c2)CCC(C)N3)c1OC
InChIInChI=1S/C18H21NO2/c1-12-7-8-14-11-13(9-10-16(14)19-12)15-5-4-6-17(20-2)18(15)21-3/h4-6,9-12,19H,7-8H2,1-3H3
InChIKeyDKOJIAAOLLNTBI-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (CID 82784751) is 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is COc1cccc(-c2ccc3c(c2)CCC(C)N3)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is DKOJIAAOLLNTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-7-8-14-11-13(9-10-16(14)19-12)15-5-4-6-17(20-2)18(15)21-3/h4-6,9-12,19H,7-8H2,1-3H3.
What are the key properties of 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 283.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82784751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).