1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid

C24H19NO4 — CID 72696734

IUPAC1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H19NO4/c26-23-21(24(27)28)13-19-11-12-20(29-16-18-9-5-2-6-10-18)14-22(19)25(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28)
InChIKeyQRNBZBJKAIEJAD-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.33
Rot. Bonds6

About 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid

1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid (PubChem CID 72696734) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
PubChem CID72696734
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H19NO4/c26-23-21(24(27)28)13-19-11-12-20(29-16-18-9-5-2-6-10-18)14-22(19)25(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28)
InChIKeyQRNBZBJKAIEJAD-UHFFFAOYSA-N
XLogP4.33
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The IUPAC name of 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid (CID 72696734) is 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The canonical SMILES for 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid is O=C(O)c1cc2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The InChIKey is QRNBZBJKAIEJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23-21(24(27)28)13-19-11-12-20(29-16-18-9-5-2-6-10-18)14-22(19)25(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28).
What are the key properties of 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 72696734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).