3-quinolin-7-ylbenzoic acid

C16H11NO2 — CID 81224892

IUPAC3-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C16H11NO2/c18-16(19)14-4-1-3-12(9-14)13-7-6-11-5-2-8-17-15(11)10-13/h1-10H,(H,18,19)
InChIKeyZZXZVJIWPKEMGU-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.60
Rot. Bonds2

About 3-quinolin-7-ylbenzoic acid

3-quinolin-7-ylbenzoic acid (PubChem CID 81224892) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-quinolin-7-ylbenzoic acid.

Molecular Properties

Compound Name3-quinolin-7-ylbenzoic acid
PubChem CID81224892
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name3-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C16H11NO2/c18-16(19)14-4-1-3-12(9-14)13-7-6-11-5-2-8-17-15(11)10-13/h1-10H,(H,18,19)
InChIKeyZZXZVJIWPKEMGU-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-quinolin-7-ylbenzoic acid
CID 81224662
4-methyl-3-quinolin-7-ylbenzoic acid
CID 81475808
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
CID 167339318
ethane;quinoline-6-carboxylic acid
CID 91364452
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-pyridin-3-ylbenzoic acid
CID 2795575
3-(2-aminoquinazolin-6-yl)benzoic acid
CID 58829166
3-methoxybenzoic acid;quinoline
CID 67785482
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-7-ylbenzoic acid?
The IUPAC name of 3-quinolin-7-ylbenzoic acid (CID 81224892) is 3-quinolin-7-ylbenzoic acid.
What is the SMILES notation for 3-quinolin-7-ylbenzoic acid?
The canonical SMILES for 3-quinolin-7-ylbenzoic acid is O=C(O)c1cccc(-c2ccc3cccnc3c2)c1.
What is the InChIKey of 3-quinolin-7-ylbenzoic acid?
The InChIKey is ZZXZVJIWPKEMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(19)14-4-1-3-12(9-14)13-7-6-11-5-2-8-17-15(11)10-13/h1-10H,(H,18,19).
What are the key properties of 3-quinolin-7-ylbenzoic acid?
3-quinolin-7-ylbenzoic acid has a molecular weight of 249.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-7-ylbenzoic acid is sourced from PubChem (CID 81224892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).