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

C19H18N2O3 — CID 54684065

IUPAC1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-3-21-15-7-5-4-6-14(15)17(22)16(19(21)24)18(23)20-13-10-8-12(2)9-11-13/h4-11,22H,3H2,1-2H3,(H,20,23)
InChIKeyYTRSDDHFIJFNIY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.29
Rot. Bonds3

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

1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54684065) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID54684065
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-3-21-15-7-5-4-6-14(15)17(22)16(19(21)24)18(23)20-13-10-8-12(2)9-11-13/h4-11,22H,3H2,1-2H3,(H,20,23)
InChIKeyYTRSDDHFIJFNIY-UHFFFAOYSA-N
XLogP3.29
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.29
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-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide (CID 54684065) is 1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(C)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is YTRSDDHFIJFNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-21-15-7-5-4-6-14(15)17(22)16(19(21)24)18(23)20-13-10-8-12(2)9-11-13/h4-11,22H,3H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.29, 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-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54684065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).