1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C11H13NO3 — CID 37134576

IUPAC1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)CCCC2
InChIInChI=1S/C11H13NO3/c1-12-9-5-3-2-4-7(9)6-8(10(12)13)11(14)15/h6H,2-5H2,1H3,(H,14,15)
InChIKeyWYPVZWSIJLPQGV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.96
Rot. Bonds1

About 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 37134576) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID37134576
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)CCCC2
InChIInChI=1S/C11H13NO3/c1-12-9-5-3-2-4-7(9)6-8(10(12)13)11(14)15/h6H,2-5H2,1H3,(H,14,15)
InChIKeyWYPVZWSIJLPQGV-UHFFFAOYSA-N
XLogP0.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 37134576) is 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is Cn1c2c(cc(C(=O)O)c1=O)CCCC2.
What is the InChIKey of 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is WYPVZWSIJLPQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-9-5-3-2-4-7(9)6-8(10(12)13)11(14)15/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 37134576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).