2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid

C21H15NO4 — CID 6211924

IUPAC2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
SMILESCOc1cccc2cc(/C=C/c3cc(C(=O)O)c4ccccc4n3)oc12
InChIInChI=1S/C21H15NO4/c1-25-19-8-4-5-13-11-15(26-20(13)19)10-9-14-12-17(21(23)24)16-6-2-3-7-18(16)22-14/h2-12H,1H3,(H,23,24)/b10-9+
InChIKeyIEPJLDZSGVPCDJ-MDZDMXLPSA-N
MW345.35 g/mol
LogP4.86
Rot. Bonds4

About 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid

2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 6211924) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
PubChem CID6211924
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
SMILESCOc1cccc2cc(/C=C/c3cc(C(=O)O)c4ccccc4n3)oc12
InChIInChI=1S/C21H15NO4/c1-25-19-8-4-5-13-11-15(26-20(13)19)10-9-14-12-17(21(23)24)16-6-2-3-7-18(16)22-14/h2-12H,1H3,(H,23,24)/b10-9+
InChIKeyIEPJLDZSGVPCDJ-MDZDMXLPSA-N
XLogP4.86
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 24592521
2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]-1,3-benzothiazole
CID 6224077
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934
2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736319
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid
CID 34046386
2-benzoyl-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enenitrile
CID 4995240
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
4-[(E)-2-(8-methoxy-4-oxochromen-2-yl)ethenyl]benzoic acid
CID 21425815
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16777739
2-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 3995413

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid (CID 6211924) is 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid is COc1cccc2cc(/C=C/c3cc(C(=O)O)c4ccccc4n3)oc12.
What is the InChIKey of 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is IEPJLDZSGVPCDJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H15NO4/c1-25-19-8-4-5-13-11-15(26-20(13)19)10-9-14-12-17(21(23)24)16-6-2-3-7-18(16)22-14/h2-12H,1H3,(H,23,24)/b10-9+.
What are the key properties of 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid?
2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 345.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 6211924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).