3-(7-chloroquinolin-4-yl)oxybenzoic acid

C16H10ClNO3 — CID 61395609

IUPAC3-(7-chloroquinolin-4-yl)oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C16H10ClNO3/c17-11-4-5-13-14(9-11)18-7-6-15(13)21-12-3-1-2-10(8-12)16(19)20/h1-9H,(H,19,20)
InChIKeyVKCGNOBLUNPUEF-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.38
Rot. Bonds3

About 3-(7-chloroquinolin-4-yl)oxybenzoic acid

3-(7-chloroquinolin-4-yl)oxybenzoic acid (PubChem CID 61395609) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)oxybenzoic acid
PubChem CID61395609
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name3-(7-chloroquinolin-4-yl)oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C16H10ClNO3/c17-11-4-5-13-14(9-11)18-7-6-15(13)21-12-3-1-2-10(8-12)16(19)20/h1-9H,(H,19,20)
InChIKeyVKCGNOBLUNPUEF-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

5-(7-chloroquinolin-4-yl)oxypyridine-3-carboxylic acid
CID 63852058
7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
CID 59590548
7-chloro-4-(3-fluorophenoxy)quinoline
CID 19879037
3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
CID 71564649
3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid
CID 54207586
4-chloro-2-quinolin-4-yloxybenzoic acid
CID 61395926
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
5-(3,4-dichlorophenoxy)naphthalene-2-carboxylic acid
CID 155213927
3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide
CID 86870711

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)oxybenzoic acid?
The IUPAC name of 3-(7-chloroquinolin-4-yl)oxybenzoic acid (CID 61395609) is 3-(7-chloroquinolin-4-yl)oxybenzoic acid.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)oxybenzoic acid?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)oxybenzoic acid is O=C(O)c1cccc(Oc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)oxybenzoic acid?
The InChIKey is VKCGNOBLUNPUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-11-4-5-13-14(9-11)18-7-6-15(13)21-12-3-1-2-10(8-12)16(19)20/h1-9H,(H,19,20).
What are the key properties of 3-(7-chloroquinolin-4-yl)oxybenzoic acid?
3-(7-chloroquinolin-4-yl)oxybenzoic 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-(7-chloroquinolin-4-yl)oxybenzoic acid is sourced from PubChem (CID 61395609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).