4-chloro-2-quinolin-4-yloxybenzoic acid

C16H10ClNO3 — CID 61395926

IUPAC4-chloro-2-quinolin-4-yloxybenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccnc2ccccc12
InChIInChI=1S/C16H10ClNO3/c17-10-5-6-12(16(19)20)15(9-10)21-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,(H,19,20)
InChIKeyFKFICVNZMPWGFR-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.38
Rot. Bonds3

About 4-chloro-2-quinolin-4-yloxybenzoic acid

4-chloro-2-quinolin-4-yloxybenzoic acid (PubChem CID 61395926) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 4-chloro-2-quinolin-4-yloxybenzoic acid.

Molecular Properties

Compound Name4-chloro-2-quinolin-4-yloxybenzoic acid
PubChem CID61395926
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name4-chloro-2-quinolin-4-yloxybenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccnc2ccccc12
InChIInChI=1S/C16H10ClNO3/c17-10-5-6-12(16(19)20)15(9-10)21-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,(H,19,20)
InChIKeyFKFICVNZMPWGFR-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

4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63681354
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
CID 59590548
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
4-chloro-2-quinolin-5-ylbenzoic acid
CID 107989819
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
4-chloro-2-(2,3-difluorophenoxy)benzoic acid
CID 63082872
4-chloro-2-(5-chloro-2-nitrophenoxy)benzoic acid
CID 63082703
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550
4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61396049

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-quinolin-4-yloxybenzoic acid?
The IUPAC name of 4-chloro-2-quinolin-4-yloxybenzoic acid (CID 61395926) is 4-chloro-2-quinolin-4-yloxybenzoic acid.
What is the SMILES notation for 4-chloro-2-quinolin-4-yloxybenzoic acid?
The canonical SMILES for 4-chloro-2-quinolin-4-yloxybenzoic acid is O=C(O)c1ccc(Cl)cc1Oc1ccnc2ccccc12.
What is the InChIKey of 4-chloro-2-quinolin-4-yloxybenzoic acid?
The InChIKey is FKFICVNZMPWGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-10-5-6-12(16(19)20)15(9-10)21-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,(H,19,20).
What are the key properties of 4-chloro-2-quinolin-4-yloxybenzoic acid?
4-chloro-2-quinolin-4-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 4-chloro-2-quinolin-4-yloxybenzoic acid is sourced from PubChem (CID 61395926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).