3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid

C24H18N2O3 — CID 131955108

IUPAC3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid
SMILESCC(=O)Nc1cccc(-c2cc(C(=O)O)cc(-c3ccc4cccnc4c3)c2)c1
InChIInChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29)
InChIKeyHFHBEVQSZIRVAZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.23
Rot. Bonds4

About 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid

3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid (PubChem CID 131955108) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid.

Molecular Properties

Compound Name3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid
PubChem CID131955108
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid
SMILESCC(=O)Nc1cccc(-c2cc(C(=O)O)cc(-c3ccc4cccnc4c3)c2)c1
InChIInChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29)
InChIKeyHFHBEVQSZIRVAZ-UHFFFAOYSA-N
XLogP5.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid?
The IUPAC name of 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid (CID 131955108) is 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid.
What is the SMILES notation for 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid?
The canonical SMILES for 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid is CC(=O)Nc1cccc(-c2cc(C(=O)O)cc(-c3ccc4cccnc4c3)c2)c1.
What is the InChIKey of 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid?
The InChIKey is HFHBEVQSZIRVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29).
What are the key properties of 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid?
3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid has a molecular weight of 382.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidophenyl)-5-quinolin-7-ylbenzoic acid is sourced from PubChem (CID 131955108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).