4-(quinolin-5-ylamino)benzoic acid

C16H12N2O2 — CID 62230854

IUPAC4-(quinolin-5-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cccc3ncccc23)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)11-6-8-12(9-7-11)18-15-5-1-4-14-13(15)3-2-10-17-14/h1-10,18H,(H,19,20)
InChIKeyFXZWWZFPEFOQDK-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.68
Rot. Bonds3

About 4-(quinolin-5-ylamino)benzoic acid

4-(quinolin-5-ylamino)benzoic acid (PubChem CID 62230854) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(quinolin-5-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(quinolin-5-ylamino)benzoic acid
PubChem CID62230854
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-(quinolin-5-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cccc3ncccc23)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)11-6-8-12(9-7-11)18-15-5-1-4-14-13(15)3-2-10-17-14/h1-10,18H,(H,19,20)
InChIKeyFXZWWZFPEFOQDK-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
3-(quinolin-5-ylamino)pyridine-4-carboxylic acid
CID 105062537
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
6-(quinolin-5-ylamino)pyridine-2-carboxylic acid
CID 62253213
3-amino-4-(quinolin-5-ylamino)benzamide
CID 43448403
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
4-(isoquinolin-5-ylamino)benzoic acid
CID 62232370
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
6-(quinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66456935
5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104607003
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-5-ylamino)benzoic acid?
The IUPAC name of 4-(quinolin-5-ylamino)benzoic acid (CID 62230854) is 4-(quinolin-5-ylamino)benzoic acid.
What is the SMILES notation for 4-(quinolin-5-ylamino)benzoic acid?
The canonical SMILES for 4-(quinolin-5-ylamino)benzoic acid is O=C(O)c1ccc(Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-(quinolin-5-ylamino)benzoic acid?
The InChIKey is FXZWWZFPEFOQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)11-6-8-12(9-7-11)18-15-5-1-4-14-13(15)3-2-10-17-14/h1-10,18H,(H,19,20).
What are the key properties of 4-(quinolin-5-ylamino)benzoic acid?
4-(quinolin-5-ylamino)benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-5-ylamino)benzoic acid is sourced from PubChem (CID 62230854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).