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

C18H16N2O3 — CID 54679771

IUPAC4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-11-6-5-7-12(10-11)19-17(22)15-16(21)13-8-3-4-9-14(13)20(2)18(15)23/h3-10,21H,1-2H3,(H,19,22)
InChIKeySQAZTVFADFUHOA-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds2

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

4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54679771) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID54679771
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-11-6-5-7-12(10-11)19-17(22)15-16(21)13-8-3-4-9-14(13)20(2)18(15)23/h3-10,21H,1-2H3,(H,19,22)
InChIKeySQAZTVFADFUHOA-UHFFFAOYSA-N
XLogP2.80
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide (CID 54679771) is 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide is Cc1cccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1.
What is the InChIKey of 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is SQAZTVFADFUHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-6-5-7-12(10-11)19-17(22)15-16(21)13-8-3-4-9-14(13)20(2)18(15)23/h3-10,21H,1-2H3,(H,19,22).
What are the key properties of 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide?
4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54679771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).