4-quinolin-7-ylbenzoic acid

C16H11NO2 — CID 81224662

IUPAC4-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cccnc3c2)cc1
InChIInChI=1S/C16H11NO2/c18-16(19)13-6-3-11(4-7-13)14-8-5-12-2-1-9-17-15(12)10-14/h1-10H,(H,18,19)
InChIKeyCFMDSVZVIZCINP-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.60
Rot. Bonds2

About 4-quinolin-7-ylbenzoic acid

4-quinolin-7-ylbenzoic acid (PubChem CID 81224662) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-quinolin-7-ylbenzoic acid.

Molecular Properties

Compound Name4-quinolin-7-ylbenzoic acid
PubChem CID81224662
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name4-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cccnc3c2)cc1
InChIInChI=1S/C16H11NO2/c18-16(19)13-6-3-11(4-7-13)14-8-5-12-2-1-9-17-15(12)10-14/h1-10H,(H,18,19)
InChIKeyCFMDSVZVIZCINP-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

3-quinolin-7-ylbenzoic acid
CID 81224892
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
ethane;quinoline-6-carboxylic acid
CID 91364452
5-fluoro-2-quinolin-7-ylbenzoic acid
CID 81223879
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid
CID 153386364
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-7-ylbenzoic acid?
The IUPAC name of 4-quinolin-7-ylbenzoic acid (CID 81224662) is 4-quinolin-7-ylbenzoic acid.
What is the SMILES notation for 4-quinolin-7-ylbenzoic acid?
The canonical SMILES for 4-quinolin-7-ylbenzoic acid is O=C(O)c1ccc(-c2ccc3cccnc3c2)cc1.
What is the InChIKey of 4-quinolin-7-ylbenzoic acid?
The InChIKey is CFMDSVZVIZCINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(19)13-6-3-11(4-7-13)14-8-5-12-2-1-9-17-15(12)10-14/h1-10H,(H,18,19).
What are the key properties of 4-quinolin-7-ylbenzoic acid?
4-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 4-quinolin-7-ylbenzoic acid is sourced from PubChem (CID 81224662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).