2-chloro-6-quinolin-3-yloxybenzoic acid

C16H10ClNO3 — CID 107387494

IUPAC2-chloro-6-quinolin-3-yloxybenzoic acid
SMILESO=C(O)c1c(Cl)cccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H10ClNO3/c17-12-5-3-7-14(15(12)16(19)20)21-11-8-10-4-1-2-6-13(10)18-9-11/h1-9H,(H,19,20)
InChIKeyXZOZUYYIGSUDLR-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.38
Rot. Bonds3

About 2-chloro-6-quinolin-3-yloxybenzoic acid

2-chloro-6-quinolin-3-yloxybenzoic acid (PubChem CID 107387494) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-chloro-6-quinolin-3-yloxybenzoic acid.

Molecular Properties

Compound Name2-chloro-6-quinolin-3-yloxybenzoic acid
PubChem CID107387494
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name2-chloro-6-quinolin-3-yloxybenzoic acid
SMILESO=C(O)c1c(Cl)cccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H10ClNO3/c17-12-5-3-7-14(15(12)16(19)20)21-11-8-10-4-1-2-6-13(10)18-9-11/h1-9H,(H,19,20)
InChIKeyXZOZUYYIGSUDLR-UHFFFAOYSA-N
XLogP4.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145
2-amino-3-quinolin-3-yloxybenzoic acid
CID 107387664
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
3-amino-4-quinolin-3-yloxybenzoic acid
CID 107387663
4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489
2-chloro-6-(2-phenoxyethoxy)benzoic acid
CID 28604962
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
3-(3-fluoro-2-nitrophenoxy)quinoline
CID 107387070
3-quinolin-3-yloxypyridazine-4-carboxylic acid
CID 107387979
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
2-chloro-3-quinolin-3-yloxypropanoic acid
CID 107387997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-quinolin-3-yloxybenzoic acid?
The IUPAC name of 2-chloro-6-quinolin-3-yloxybenzoic acid (CID 107387494) is 2-chloro-6-quinolin-3-yloxybenzoic acid.
What is the SMILES notation for 2-chloro-6-quinolin-3-yloxybenzoic acid?
The canonical SMILES for 2-chloro-6-quinolin-3-yloxybenzoic acid is O=C(O)c1c(Cl)cccc1Oc1cnc2ccccc2c1.
What is the InChIKey of 2-chloro-6-quinolin-3-yloxybenzoic acid?
The InChIKey is XZOZUYYIGSUDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-12-5-3-7-14(15(12)16(19)20)21-11-8-10-4-1-2-6-13(10)18-9-11/h1-9H,(H,19,20).
What are the key properties of 2-chloro-6-quinolin-3-yloxybenzoic acid?
2-chloro-6-quinolin-3-yloxybenzoic acid has a molecular weight of 299.71 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-quinolin-3-yloxybenzoic acid is sourced from PubChem (CID 107387494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).