2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate

C19H17NO4 — CID 2431984

IUPAC2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17NO4/c1-13-6-8-14(9-7-13)23-10-11-24-19(22)16-12-18(21)20-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyUNTVCKOLYIPMBN-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate

2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2431984) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2431984
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17NO4/c1-13-6-8-14(9-7-13)23-10-11-24-19(22)16-12-18(21)20-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyUNTVCKOLYIPMBN-UHFFFAOYSA-N
XLogP3.07
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate (CID 2431984) is 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate is Cc1ccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is UNTVCKOLYIPMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-6-8-14(9-7-13)23-10-11-24-19(22)16-12-18(21)20-17-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate?
2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2431984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).