6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

C13H17NO4 — CID 154209105

IUPAC6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)N(C(=O)O)C(C)CC2
InChIInChI=1S/C13H17NO4/c1-8-4-5-9-6-11(17-2)12(18-3)7-10(9)14(8)13(15)16/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyMVFIYWVWZUHEMD-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.52
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid (PubChem CID 154209105) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
PubChem CID154209105
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)N(C(=O)O)C(C)CC2
InChIInChI=1S/C13H17NO4/c1-8-4-5-9-6-11(17-2)12(18-3)7-10(9)14(8)13(15)16/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyMVFIYWVWZUHEMD-UHFFFAOYSA-N
XLogP2.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid (CID 154209105) is 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid is COc1cc2c(cc1OC)N(C(=O)O)C(C)CC2.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The InChIKey is MVFIYWVWZUHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8-4-5-9-6-11(17-2)12(18-3)7-10(9)14(8)13(15)16/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 154209105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).