2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid

C23H15NO4 — CID 57381256

IUPAC2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
SMILESCOc1ccc2oc(-c3nc4c(ccc5ccccc54)cc3C(=O)O)cc2c1
InChIInChI=1S/C23H15NO4/c1-27-16-8-9-19-15(10-16)12-20(28-19)22-18(23(25)26)11-14-7-6-13-4-2-3-5-17(13)21(14)24-22/h2-12H,1H3,(H,25,26)
InChIKeyZMTCOWLUAVQYIB-UHFFFAOYSA-N
MW369.38 g/mol
LogP5.51
Rot. Bonds3

About 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid

2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid (PubChem CID 57381256) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
PubChem CID57381256
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
SMILESCOc1ccc2oc(-c3nc4c(ccc5ccccc54)cc3C(=O)O)cc2c1
InChIInChI=1S/C23H15NO4/c1-27-16-8-9-19-15(10-16)12-20(28-19)22-18(23(25)26)11-14-7-6-13-4-2-3-5-17(13)21(14)24-22/h2-12H,1H3,(H,25,26)
InChIKeyZMTCOWLUAVQYIB-UHFFFAOYSA-N
XLogP5.51
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 5115060
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
2-[(6-methoxy-2-oxochromene-3-carbonyl)-methylamino]benzoic acid
CID 21235325
(2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 991777
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
(2-chlorophenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 2990698
3,6-dimethoxyphenanthrene-9-carboxylic acid;phenanthrene-1-carboxylic acid
CID 141397623

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid?
The IUPAC name of 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid (CID 57381256) is 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid?
The canonical SMILES for 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid is COc1ccc2oc(-c3nc4c(ccc5ccccc54)cc3C(=O)O)cc2c1.
What is the InChIKey of 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid?
The InChIKey is ZMTCOWLUAVQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO4/c1-27-16-8-9-19-15(10-16)12-20(28-19)22-18(23(25)26)11-14-7-6-13-4-2-3-5-17(13)21(14)24-22/h2-12H,1H3,(H,25,26).
What are the key properties of 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid?
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid has a molecular weight of 369.38 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid is sourced from PubChem (CID 57381256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).