1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid

C13H15NO3 — CID 175604978

IUPAC1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid
SMILESCc1c2c(n(C)c(=O)c1C)C=C(C(=O)O)CC2
InChIInChI=1S/C13H15NO3/c1-7-8(2)12(15)14(3)11-6-9(13(16)17)4-5-10(7)11/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyXFKHFTUAMBGVND-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.42
Rot. Bonds1

About 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid

1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid (PubChem CID 175604978) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid.

Molecular Properties

Compound Name1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid
PubChem CID175604978
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid
SMILESCc1c2c(n(C)c(=O)c1C)C=C(C(=O)O)CC2
InChIInChI=1S/C13H15NO3/c1-7-8(2)12(15)14(3)11-6-9(13(16)17)4-5-10(7)11/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyXFKHFTUAMBGVND-UHFFFAOYSA-N
XLogP1.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid?
The IUPAC name of 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid (CID 175604978) is 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid.
What is the SMILES notation for 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid?
The canonical SMILES for 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid is Cc1c2c(n(C)c(=O)c1C)C=C(C(=O)O)CC2.
What is the InChIKey of 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid?
The InChIKey is XFKHFTUAMBGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7-8(2)12(15)14(3)11-6-9(13(16)17)4-5-10(7)11/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid?
1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2-oxo-5,6-dihydroquinoline-7-carboxylic acid is sourced from PubChem (CID 175604978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).