1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid

C13H15NO3 — CID 21410906

IUPAC1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid
SMILESCCN1C(=O)C(C(=O)O)Cc2ccc(C)cc21
InChIInChI=1S/C13H15NO3/c1-3-14-11-6-8(2)4-5-9(11)7-10(12(14)15)13(16)17/h4-6,10H,3,7H2,1-2H3,(H,16,17)
InChIKeyKKRCKYIDQYZSLG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds2

About 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid

1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid (PubChem CID 21410906) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid
PubChem CID21410906
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid
SMILESCCN1C(=O)C(C(=O)O)Cc2ccc(C)cc21
InChIInChI=1S/C13H15NO3/c1-3-14-11-6-8(2)4-5-9(11)7-10(12(14)15)13(16)17/h4-6,10H,3,7H2,1-2H3,(H,16,17)
InChIKeyKKRCKYIDQYZSLG-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid (CID 21410906) is 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid is CCN1C(=O)C(C(=O)O)Cc2ccc(C)cc21.
What is the InChIKey of 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
The InChIKey is KKRCKYIDQYZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-14-11-6-8(2)4-5-9(11)7-10(12(14)15)13(16)17/h4-6,10H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid?
1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-2-oxo-3,4-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 21410906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).