1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide

C18H16N2O4 — CID 54676688

IUPAC1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21
InChIInChI=1S/C18H16N2O4/c1-2-20-13-9-5-3-7-11(13)16(22)15(18(20)24)17(23)19-12-8-4-6-10-14(12)21/h3-10,21-22H,2H2,1H3,(H,19,23)
InChIKeyRIKUKGBZSHDUPL-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.68
Rot. Bonds3

About 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide

1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54676688) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID54676688
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21
InChIInChI=1S/C18H16N2O4/c1-2-20-13-9-5-3-7-11(13)16(22)15(18(20)24)17(23)19-12-8-4-6-10-14(12)21/h3-10,21-22H,2H2,1H3,(H,19,23)
InChIKeyRIKUKGBZSHDUPL-UHFFFAOYSA-N
XLogP2.68
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide 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-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide (CID 54676688) is 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is RIKUKGBZSHDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-20-13-9-5-3-7-11(13)16(22)15(18(20)24)17(23)19-12-8-4-6-10-14(12)21/h3-10,21-22H,2H2,1H3,(H,19,23).
What are the key properties of 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide?
1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).