3-chloro-4-quinolin-7-yloxybenzoic acid

C16H10ClNO3 — CID 107314076

IUPAC3-chloro-4-quinolin-7-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3cccnc3c2)c(Cl)c1
InChIInChI=1S/C16H10ClNO3/c17-13-8-11(16(19)20)4-6-15(13)21-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,(H,19,20)
InChIKeyZAKORWAVEZVVLC-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.38
Rot. Bonds3

About 3-chloro-4-quinolin-7-yloxybenzoic acid

3-chloro-4-quinolin-7-yloxybenzoic acid (PubChem CID 107314076) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 3-chloro-4-quinolin-7-yloxybenzoic acid.

Molecular Properties

Compound Name3-chloro-4-quinolin-7-yloxybenzoic acid
PubChem CID107314076
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name3-chloro-4-quinolin-7-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3cccnc3c2)c(Cl)c1
InChIInChI=1S/C16H10ClNO3/c17-13-8-11(16(19)20)4-6-15(13)21-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,(H,19,20)
InChIKeyZAKORWAVEZVVLC-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-4-quinolin-7-yloxybenzoic acid
CID 107315358
7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379
5-amino-2-quinolin-7-yloxybenzoic acid
CID 107314381
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
4-[(3-bromo-2-pyridinyl)oxy]-3-chlorobenzoic acid
CID 61396283
3-chloro-4-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733254
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
4-quinolin-7-ylbenzoic acid
CID 81224662

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-quinolin-7-yloxybenzoic acid?
The IUPAC name of 3-chloro-4-quinolin-7-yloxybenzoic acid (CID 107314076) is 3-chloro-4-quinolin-7-yloxybenzoic acid.
What is the SMILES notation for 3-chloro-4-quinolin-7-yloxybenzoic acid?
The canonical SMILES for 3-chloro-4-quinolin-7-yloxybenzoic acid is O=C(O)c1ccc(Oc2ccc3cccnc3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-quinolin-7-yloxybenzoic acid?
The InChIKey is ZAKORWAVEZVVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-13-8-11(16(19)20)4-6-15(13)21-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,(H,19,20).
What are the key properties of 3-chloro-4-quinolin-7-yloxybenzoic acid?
3-chloro-4-quinolin-7-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 3-chloro-4-quinolin-7-yloxybenzoic acid is sourced from PubChem (CID 107314076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).