1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide

C18H16N2O3 — CID 54684056

IUPAC1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-2-20-14-11-7-6-10-13(14)16(21)15(18(20)23)17(22)19-12-8-4-3-5-9-12/h3-11,21H,2H2,1H3,(H,19,22)
InChIKeyOTYOVLUCRNEYJN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.98
Rot. Bonds3

About 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide

1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54684056) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54684056
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-2-20-14-11-7-6-10-13(14)16(21)15(18(20)23)17(22)19-12-8-4-3-5-9-12/h3-11,21H,2H2,1H3,(H,19,22)
InChIKeyOTYOVLUCRNEYJN-UHFFFAOYSA-N
XLogP2.98
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide (CID 54684056) is 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is OTYOVLUCRNEYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-20-14-11-7-6-10-13(14)16(21)15(18(20)23)17(22)19-12-8-4-3-5-9-12/h3-11,21H,2H2,1H3,(H,19,22).
What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide?
1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54684056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).