3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid

C11H11NO3 — CID 19820541

IUPAC3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILESCC1(C(=O)O)Cc2ccccc2NC1=O
InChIInChI=1S/C11H11NO3/c1-11(10(14)15)6-7-4-2-3-5-8(7)12-9(11)13/h2-5H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZSTNDRNEHHDPQB-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.27
Rot. Bonds1

About 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid

3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid (PubChem CID 19820541) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
PubChem CID19820541
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILESCC1(C(=O)O)Cc2ccccc2NC1=O
InChIInChI=1S/C11H11NO3/c1-11(10(14)15)6-7-4-2-3-5-8(7)12-9(11)13/h2-5H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZSTNDRNEHHDPQB-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid (CID 19820541) is 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid is CC1(C(=O)O)Cc2ccccc2NC1=O.
What is the InChIKey of 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The InChIKey is ZSTNDRNEHHDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(10(14)15)6-7-4-2-3-5-8(7)12-9(11)13/h2-5H,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid?
3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 19820541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).