5-amino-2-quinolin-7-yloxybenzoic acid

C16H12N2O3 — CID 107314381

IUPAC5-amino-2-quinolin-7-yloxybenzoic acid
SMILESNc1ccc(Oc2ccc3cccnc3c2)c(C(=O)O)c1
InChIInChI=1S/C16H12N2O3/c17-11-4-6-15(13(8-11)16(19)20)21-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2,(H,19,20)
InChIKeyLWHZXDLTOKJHRL-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.31
Rot. Bonds3

About 5-amino-2-quinolin-7-yloxybenzoic acid

5-amino-2-quinolin-7-yloxybenzoic acid (PubChem CID 107314381) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-amino-2-quinolin-7-yloxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-quinolin-7-yloxybenzoic acid
PubChem CID107314381
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name5-amino-2-quinolin-7-yloxybenzoic acid
SMILESNc1ccc(Oc2ccc3cccnc3c2)c(C(=O)O)c1
InChIInChI=1S/C16H12N2O3/c17-11-4-6-15(13(8-11)16(19)20)21-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2,(H,19,20)
InChIKeyLWHZXDLTOKJHRL-UHFFFAOYSA-N
XLogP3.31
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-quinolin-7-yloxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379
2-chloro-4-quinolin-7-yloxybenzoic acid
CID 107315358
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
5-iodo-2-quinolin-7-yloxyaniline
CID 107313234
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
2-quinolin-7-yloxy-1,3-benzothiazol-6-amine
CID 107313184
2-quinolin-7-yloxypyridin-3-amine
CID 107313182
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-quinolin-7-yloxybenzoic acid?
The IUPAC name of 5-amino-2-quinolin-7-yloxybenzoic acid (CID 107314381) is 5-amino-2-quinolin-7-yloxybenzoic acid.
What is the SMILES notation for 5-amino-2-quinolin-7-yloxybenzoic acid?
The canonical SMILES for 5-amino-2-quinolin-7-yloxybenzoic acid is Nc1ccc(Oc2ccc3cccnc3c2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-quinolin-7-yloxybenzoic acid?
The InChIKey is LWHZXDLTOKJHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-11-4-6-15(13(8-11)16(19)20)21-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2,(H,19,20).
What are the key properties of 5-amino-2-quinolin-7-yloxybenzoic acid?
5-amino-2-quinolin-7-yloxybenzoic acid has a molecular weight of 280.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-quinolin-7-yloxybenzoic acid is sourced from PubChem (CID 107314381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).