2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid

C25H18N2O4 — CID 52947750

IUPAC2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)c3cccc(C(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H18N2O4/c1-15(28)26-18-12-10-16(11-13-18)22-14-21(25(30)31)19-8-5-9-20(23(19)27-22)24(29)17-6-3-2-4-7-17/h2-14H,1H3,(H,26,28)(H,30,31)
InChIKeyPTVJXASLRCAIHH-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid

2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid (PubChem CID 52947750) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid
PubChem CID52947750
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)c3cccc(C(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H18N2O4/c1-15(28)26-18-12-10-16(11-13-18)22-14-21(25(30)31)19-8-5-9-20(23(19)27-22)24(29)17-6-3-2-4-7-17/h2-14H,1H3,(H,26,28)(H,30,31)
InChIKeyPTVJXASLRCAIHH-UHFFFAOYSA-N
XLogP4.79
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8593
Brequinar
CID 57030
Neocinchophen
CID 68089
Tetrophan
CID 120171
Brequinar Analog
CID 1543
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
2-(Naphthalen-1-yl)quinoline-4-carboxylic acid
CID 230606
2-(4-Cyclohexylphenyl)quinoline-4-carboxylic acid
CID 1830299
2-(2,4-Dimethylphenyl)quinoline-4-carboxylic acid
CID 230602

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid (CID 52947750) is 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid is CC(=O)Nc1ccc(-c2cc(C(=O)O)c3cccc(C(=O)c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid?
The InChIKey is PTVJXASLRCAIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c1-15(28)26-18-12-10-16(11-13-18)22-14-21(25(30)31)19-8-5-9-20(23(19)27-22)24(29)17-6-3-2-4-7-17/h2-14H,1H3,(H,26,28)(H,30,31).
What are the key properties of 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid?
2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid has a molecular weight of 410.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-8-benzoylquinoline-4-carboxylic acid is sourced from PubChem (CID 52947750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).