2-chloro-4-quinolin-7-yloxybenzoic acid

C16H10ClNO3 — CID 107315358

IUPAC2-chloro-4-quinolin-7-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3cccnc3c2)cc1Cl
InChIInChI=1S/C16H10ClNO3/c17-14-8-11(5-6-13(14)16(19)20)21-12-4-3-10-2-1-7-18-15(10)9-12/h1-9H,(H,19,20)
InChIKeyLVILMVYWYNWUQS-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.38
Rot. Bonds3

About 2-chloro-4-quinolin-7-yloxybenzoic acid

2-chloro-4-quinolin-7-yloxybenzoic acid (PubChem CID 107315358) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-chloro-4-quinolin-7-yloxybenzoic acid.

Molecular Properties

Compound Name2-chloro-4-quinolin-7-yloxybenzoic acid
PubChem CID107315358
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name2-chloro-4-quinolin-7-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3cccnc3c2)cc1Cl
InChIInChI=1S/C16H10ClNO3/c17-14-8-11(5-6-13(14)16(19)20)21-12-4-3-10-2-1-7-18-15(10)9-12/h1-9H,(H,19,20)
InChIKeyLVILMVYWYNWUQS-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-(3-Chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394448
3-[[1-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]indol-6-yl]oxymethyl]benzoic acid
CID 137656103
Ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 86300870
Ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate
CID 86300871
(E)-3-[4-[7-hydroxy-3-[4-(trifluoromethoxy)benzoyl]quinolin-4-yl]oxyphenyl]prop-2-enoic acid
CID 169092980
Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate
CID 728976
Ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate
CID 81689721
Ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate
CID 86296057
7-[(3-Chlorophenyl)methoxy]quinoline-3-carboxamide
CID 86296467
Ethyl 2-(7-((3-chlorobenzyl)oxy)quinolin-3-yl)acetate
CID 86296662
Methyl 2-(7-((3-chlorobenzyl)oxy)quinolin-3-yl)acetate
CID 86296848
Ethyl 7-[(4-methoxyphenyl)methoxy]quinoline-3-carboxylate
CID 86300868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-quinolin-7-yloxybenzoic acid?
The IUPAC name of 2-chloro-4-quinolin-7-yloxybenzoic acid (CID 107315358) is 2-chloro-4-quinolin-7-yloxybenzoic acid.
What is the SMILES notation for 2-chloro-4-quinolin-7-yloxybenzoic acid?
The canonical SMILES for 2-chloro-4-quinolin-7-yloxybenzoic acid is O=C(O)c1ccc(Oc2ccc3cccnc3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-quinolin-7-yloxybenzoic acid?
The InChIKey is LVILMVYWYNWUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-14-8-11(5-6-13(14)16(19)20)21-12-4-3-10-2-1-7-18-15(10)9-12/h1-9H,(H,19,20).
What are the key properties of 2-chloro-4-quinolin-7-yloxybenzoic acid?
2-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 2-chloro-4-quinolin-7-yloxybenzoic acid is sourced from PubChem (CID 107315358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).