2-[(2-methylquinolin-8-yl)amino]benzoic acid

C17H14N2O2 — CID 63538689

IUPAC2-[(2-methylquinolin-8-yl)amino]benzoic acid
SMILESCc1ccc2cccc(Nc3ccccc3C(=O)O)c2n1
InChIInChI=1S/C17H14N2O2/c1-11-9-10-12-5-4-8-15(16(12)18-11)19-14-7-3-2-6-13(14)17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyHZIIBUAJFYYFIN-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.99
Rot. Bonds3

About 2-[(2-methylquinolin-8-yl)amino]benzoic acid

2-[(2-methylquinolin-8-yl)amino]benzoic acid (PubChem CID 63538689) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(2-methylquinolin-8-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methylquinolin-8-yl)amino]benzoic acid
PubChem CID63538689
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-[(2-methylquinolin-8-yl)amino]benzoic acid
SMILESCc1ccc2cccc(Nc3ccccc3C(=O)O)c2n1
InChIInChI=1S/C17H14N2O2/c1-11-9-10-12-5-4-8-15(16(12)18-11)19-14-7-3-2-6-13(14)17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyHZIIBUAJFYYFIN-UHFFFAOYSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993
gallium;hexakis(2-methylquinoline-8-carboxylic acid);tris(naphthalen-1-olate)
CID 173278662
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
CID 87849940
CID 87849940
bis(2-methylquinoline-8-carboxylic acid);2,4,6-trimethylphenol
CID 172818864
(2-methylquinolin-8-yl)hydrazine
CID 957615
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
N-(2,6-dimethylphenyl)-2-methylquinoline-8-carboxamide
CID 130298179
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-8-yl)amino]benzoic acid?
The IUPAC name of 2-[(2-methylquinolin-8-yl)amino]benzoic acid (CID 63538689) is 2-[(2-methylquinolin-8-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-methylquinolin-8-yl)amino]benzoic acid?
The canonical SMILES for 2-[(2-methylquinolin-8-yl)amino]benzoic acid is Cc1ccc2cccc(Nc3ccccc3C(=O)O)c2n1.
What is the InChIKey of 2-[(2-methylquinolin-8-yl)amino]benzoic acid?
The InChIKey is HZIIBUAJFYYFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-9-10-12-5-4-8-15(16(12)18-11)19-14-7-3-2-6-13(14)17(20)21/h2-10,19H,1H3,(H,20,21).
What are the key properties of 2-[(2-methylquinolin-8-yl)amino]benzoic acid?
2-[(2-methylquinolin-8-yl)amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-8-yl)amino]benzoic acid is sourced from PubChem (CID 63538689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).