2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid

C13H15NO3 — CID 114553163

IUPAC2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCCCc1ccc2c(c1)CC(C(=O)O)C(=O)N2
InChIInChI=1S/C13H15NO3/c1-2-3-8-4-5-11-9(6-8)7-10(13(16)17)12(15)14-11/h4-6,10H,2-3,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCKFZXOKUJQHTGD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.83
Rot. Bonds3

About 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid

2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid (PubChem CID 114553163) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid
PubChem CID114553163
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCCCc1ccc2c(c1)CC(C(=O)O)C(=O)N2
InChIInChI=1S/C13H15NO3/c1-2-3-8-4-5-11-9(6-8)7-10(13(16)17)12(15)14-11/h4-6,10H,2-3,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCKFZXOKUJQHTGD-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.83
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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Related Compounds

7-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553170
potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride
CID 173375657
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
5-butyl-1,3-dihydroindol-2-one
CID 10219749
sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
CID 126796897
5-butyl-2,3-dihydro-1H-indol-2-ol
CID 141157926
S-ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-3-carbothioate
CID 12001119
2,2-difluoro-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 116839750
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
7-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406802
8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553186
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid (CID 114553163) is 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid is CCCc1ccc2c(c1)CC(C(=O)O)C(=O)N2.
What is the InChIKey of 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The InChIKey is CKFZXOKUJQHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-3-8-4-5-11-9(6-8)7-10(13(16)17)12(15)14-11/h4-6,10H,2-3,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid?
2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 114553163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).