2-amino-3-quinolin-3-yloxybenzoic acid

C16H12N2O3 — CID 107387664

IUPAC2-amino-3-quinolin-3-yloxybenzoic acid
SMILESNc1c(Oc2cnc3ccccc3c2)cccc1C(=O)O
InChIInChI=1S/C16H12N2O3/c17-15-12(16(19)20)5-3-7-14(15)21-11-8-10-4-1-2-6-13(10)18-9-11/h1-9H,17H2,(H,19,20)
InChIKeyZSKGATUOVNOHKI-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.31
Rot. Bonds3

About 2-amino-3-quinolin-3-yloxybenzoic acid

2-amino-3-quinolin-3-yloxybenzoic acid (PubChem CID 107387664) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-amino-3-quinolin-3-yloxybenzoic acid.

Molecular Properties

Compound Name2-amino-3-quinolin-3-yloxybenzoic acid
PubChem CID107387664
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-amino-3-quinolin-3-yloxybenzoic acid
SMILESNc1c(Oc2cnc3ccccc3c2)cccc1C(=O)O
InChIInChI=1S/C16H12N2O3/c17-15-12(16(19)20)5-3-7-14(15)21-11-8-10-4-1-2-6-13(10)18-9-11/h1-9H,17H2,(H,19,20)
InChIKeyZSKGATUOVNOHKI-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'}

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Related Compounds

3-amino-4-quinolin-3-yloxybenzoic acid
CID 107387663
2-chloro-6-quinolin-3-yloxybenzoic acid
CID 107387494
4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489
3-quinolin-3-yloxypyridazine-4-carboxylic acid
CID 107387979
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
2-amino-3-(3,5-dichlorophenoxy)benzoic acid
CID 115547178
2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
CID 107386877
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145
2-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 115547056
3-iodo-4-quinolin-3-yloxyaniline
CID 107386952
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-quinolin-3-yloxybenzoic acid?
The IUPAC name of 2-amino-3-quinolin-3-yloxybenzoic acid (CID 107387664) is 2-amino-3-quinolin-3-yloxybenzoic acid.
What is the SMILES notation for 2-amino-3-quinolin-3-yloxybenzoic acid?
The canonical SMILES for 2-amino-3-quinolin-3-yloxybenzoic acid is Nc1c(Oc2cnc3ccccc3c2)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-quinolin-3-yloxybenzoic acid?
The InChIKey is ZSKGATUOVNOHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-15-12(16(19)20)5-3-7-14(15)21-11-8-10-4-1-2-6-13(10)18-9-11/h1-9H,17H2,(H,19,20).
What are the key properties of 2-amino-3-quinolin-3-yloxybenzoic acid?
2-amino-3-quinolin-3-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 2-amino-3-quinolin-3-yloxybenzoic acid is sourced from PubChem (CID 107387664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).