2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid

C20H11Cl2NO3 — CID 1177430

IUPAC2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc12
InChIInChI=1S/C20H11Cl2NO3/c21-14-6-5-11(9-15(14)22)18-7-8-19(26-18)17-10-13(20(24)25)12-3-1-2-4-16(12)23-17/h1-10H,(H,24,25)
InChIKeyRDBSBWUAEAZVJS-UHFFFAOYSA-N
MW384.22 g/mol
LogP6.17
Rot. Bonds3

About 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid

2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid (PubChem CID 1177430) has the molecular formula C20H11Cl2NO3 and a molecular weight of 384.22 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid
PubChem CID1177430
Molecular FormulaC20H11Cl2NO3
Molecular Weight384.22 g/mol
Exact Mass383.01
IUPAC Name2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc12
InChIInChI=1S/C20H11Cl2NO3/c21-14-6-5-11(9-15(14)22)18-7-8-19(26-18)17-10-13(20(24)25)12-3-1-2-4-16(12)23-17/h1-10H,(H,24,25)
InChIKeyRDBSBWUAEAZVJS-UHFFFAOYSA-N
XLogP6.17
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1220612
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
benzhydryl 2-(3,4-dichlorophenyl)quinoline-4-carboxylate
CID 126189481
N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
CID 3320353
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid (CID 1177430) is 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc12.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
The InChIKey is RDBSBWUAEAZVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2NO3/c21-14-6-5-11(9-15(14)22)18-7-8-19(26-18)17-10-13(20(24)25)12-3-1-2-4-16(12)23-17/h1-10H,(H,24,25).
What are the key properties of 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid has a molecular weight of 384.22 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 1177430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).