2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

C22H13Cl2NO3 — CID 4736319

IUPAC2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccc(-c3c(Cl)cccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C22H13Cl2NO3/c23-17-5-3-6-18(24)21(17)20-11-10-14(28-20)9-8-13-12-16(22(26)27)15-4-1-2-7-19(15)25-13/h1-12H,(H,26,27)
InChIKeyLCWQHFJIIGIGEC-UHFFFAOYSA-N
MW410.26 g/mol
LogP6.67
Rot. Bonds4

About 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid (PubChem CID 4736319) has the molecular formula C22H13Cl2NO3 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
PubChem CID4736319
Molecular FormulaC22H13Cl2NO3
Molecular Weight410.26 g/mol
Exact Mass409.03
IUPAC Name2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccc(-c3c(Cl)cccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C22H13Cl2NO3/c23-17-5-3-6-18(24)21(17)20-11-10-14(28-20)9-8-13-12-16(22(26)27)15-4-1-2-7-19(15)25-13/h1-12H,(H,26,27)
InChIKeyLCWQHFJIIGIGEC-UHFFFAOYSA-N
XLogP6.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 3276151
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
CID 135749986
2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
CID 6211924
2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
CID 7918900
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
CID 5377642
6-methyl-2-[2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736351
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494
2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3875764
2-[(E)-2-[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]ethenyl]quinoline-4-carboxylic acid
CID 47073891
2-[2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-5-nitroquinoline
CID 3876576
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid (CID 4736319) is 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(C=Cc2ccc(-c3c(Cl)cccc3Cl)o2)nc2ccccc12.
What is the InChIKey of 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid?
The InChIKey is LCWQHFJIIGIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2NO3/c23-17-5-3-6-18(24)21(17)20-11-10-14(28-20)9-8-13-12-16(22(26)27)15-4-1-2-7-19(15)25-13/h1-12H,(H,26,27).
What are the key properties of 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid?
2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid has a molecular weight of 410.26 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 4736319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).