(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C18H17NO3 — CID 24603447

IUPAC(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCc1ccc(OC(=O)C2CC(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C18H17NO3/c1-11-7-8-16(12(2)9-11)22-18(21)14-10-17(20)19-15-6-4-3-5-13(14)15/h3-9,14H,10H2,1-2H3,(H,19,20)
InChIKeyFBDNWWPAPHNBPT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.33
Rot. Bonds2

About (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 24603447) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID24603447
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCc1ccc(OC(=O)C2CC(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C18H17NO3/c1-11-7-8-16(12(2)9-11)22-18(21)14-10-17(20)19-15-6-4-3-5-13(14)15/h3-9,14H,10H2,1-2H3,(H,19,20)
InChIKeyFBDNWWPAPHNBPT-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 24603447) is (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is Cc1ccc(OC(=O)C2CC(=O)Nc3ccccc32)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is FBDNWWPAPHNBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-7-8-16(12(2)9-11)22-18(21)14-10-17(20)19-15-6-4-3-5-13(14)15/h3-9,14H,10H2,1-2H3,(H,19,20).
What are the key properties of (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 24603447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).