6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid

C18H15NO4 — CID 54728578

IUPAC6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C18H15NO4/c1-19-14-8-7-12(9-11-5-3-2-4-6-11)10-13(14)16(20)15(17(19)21)18(22)23/h2-8,10,20H,9H2,1H3,(H,22,23)
InChIKeyCFFYUFCTIFDMCG-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.53
Rot. Bonds3

About 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid

6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 54728578) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid
PubChem CID54728578
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C18H15NO4/c1-19-14-8-7-12(9-11-5-3-2-4-6-11)10-13(14)16(20)15(17(19)21)18(22)23/h2-8,10,20H,9H2,1H3,(H,22,23)
InChIKeyCFFYUFCTIFDMCG-UHFFFAOYSA-N
XLogP2.53
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid (CID 54728578) is 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid is Cn1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccccc3)ccc21.
What is the InChIKey of 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid?
The InChIKey is CFFYUFCTIFDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-19-14-8-7-12(9-11-5-3-2-4-6-11)10-13(14)16(20)15(17(19)21)18(22)23/h2-8,10,20H,9H2,1H3,(H,22,23).
What are the key properties of 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid?
6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54728578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).