8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

C19H12ClNO4 — CID 5014562

IUPAC8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCOc1ccc2oc(-c3cc(C(=O)O)c4cccc(Cl)c4n3)cc2c1
InChIInChI=1S/C19H12ClNO4/c1-24-11-5-6-16-10(7-11)8-17(25-16)15-9-13(19(22)23)12-3-2-4-14(20)18(12)21-15/h2-9H,1H3,(H,22,23)
InChIKeyYQZBPJNBRALOER-UHFFFAOYSA-N
MW353.76 g/mol
LogP5.01
Rot. Bonds3

About 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid (PubChem CID 5014562) has the molecular formula C19H12ClNO4 and a molecular weight of 353.76 g/mol. Its IUPAC name is 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
PubChem CID5014562
Molecular FormulaC19H12ClNO4
Molecular Weight353.76 g/mol
Exact Mass353.05
IUPAC Name8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCOc1ccc2oc(-c3cc(C(=O)O)c4cccc(Cl)c4n3)cc2c1
InChIInChI=1S/C19H12ClNO4/c1-24-11-5-6-16-10(7-11)8-17(25-16)15-9-13(19(22)23)12-3-2-4-14(20)18(12)21-15/h2-9H,1H3,(H,22,23)
InChIKeyYQZBPJNBRALOER-UHFFFAOYSA-N
XLogP5.01
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.76
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
2-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
2-(5-chloro-1-benzofuran-2-yl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4039688
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
CID 57381256
2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 3895723
2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
CID 4234786
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5028498
5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 5115060

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid (CID 5014562) is 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid is COc1ccc2oc(-c3cc(C(=O)O)c4cccc(Cl)c4n3)cc2c1.
What is the InChIKey of 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The InChIKey is YQZBPJNBRALOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO4/c1-24-11-5-6-16-10(7-11)8-17(25-16)15-9-13(19(22)23)12-3-2-4-14(20)18(12)21-15/h2-9H,1H3,(H,22,23).
What are the key properties of 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid has a molecular weight of 353.76 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 5014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).