2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid

C19H12ClNO4 — CID 5133898

IUPAC2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nc(-c3cc4cc(Cl)ccc4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H12ClNO4/c1-24-12-3-4-15-13(8-12)14(19(22)23)9-16(21-15)18-7-10-6-11(20)2-5-17(10)25-18/h2-9H,1H3,(H,22,23)
InChIKeyJVBHWXKTOBAEIK-UHFFFAOYSA-N
MW353.76 g/mol
LogP5.01
Rot. Bonds3

About 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid

2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid (PubChem CID 5133898) has the molecular formula C19H12ClNO4 and a molecular weight of 353.76 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
PubChem CID5133898
Molecular FormulaC19H12ClNO4
Molecular Weight353.76 g/mol
Exact Mass353.05
IUPAC Name2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nc(-c3cc4cc(Cl)ccc4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H12ClNO4/c1-24-12-3-4-15-13(8-12)14(19(22)23)9-16(21-15)18-7-10-6-11(20)2-5-17(10)25-18/h2-9H,1H3,(H,22,23)
InChIKeyJVBHWXKTOBAEIK-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

6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
6-butyl-2-(5-chloro-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 3909464
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
2-(5-chloro-1-benzofuran-2-yl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4039688
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 3895723
2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916137
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid (CID 5133898) is 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid is COc1ccc2nc(-c3cc4cc(Cl)ccc4o3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid?
The InChIKey is JVBHWXKTOBAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO4/c1-24-12-3-4-15-13(8-12)14(19(22)23)9-16(21-15)18-7-10-6-11(20)2-5-17(10)25-18/h2-9H,1H3,(H,22,23).
What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid?
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-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 2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 5133898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).