N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide

C18H16N2O3 — CID 931537

IUPACN-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-13-9-7-12(8-10-13)19-18(22)15-11-17(21)20-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyJEDKLNOAKFUREP-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.18
Rot. Bonds4

About N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide

N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 931537) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID931537
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-13-9-7-12(8-10-13)19-18(22)15-11-17(21)20-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyJEDKLNOAKFUREP-UHFFFAOYSA-N
XLogP3.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 931537) is N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide is CCOc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JEDKLNOAKFUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-13-9-7-12(8-10-13)19-18(22)15-11-17(21)20-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 931537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).