2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid

C27H16Cl2N2O4 — CID 5262478

IUPAC2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid
SMILESO=C(Nc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C27H16Cl2N2O4/c28-16-8-9-19(21(29)13-16)24-10-11-25(35-24)26(32)30-17-5-3-4-15(12-17)23-14-20(27(33)34)18-6-1-2-7-22(18)31-23/h1-14H,(H,30,32)(H,33,34)
InChIKeyQSOPJDUKADYJPU-UHFFFAOYSA-N
MW503.34 g/mol
LogP7.42
Rot. Bonds5

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

2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid (PubChem CID 5262478) has the molecular formula C27H16Cl2N2O4 and a molecular weight of 503.34 g/mol. Its IUPAC name is 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid
PubChem CID5262478
Molecular FormulaC27H16Cl2N2O4
Molecular Weight503.34 g/mol
Exact Mass502.05
IUPAC Name2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid
SMILESO=C(Nc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C27H16Cl2N2O4/c28-16-8-9-19(21(29)13-16)24-10-11-25(35-24)26(32)30-17-5-3-4-15(12-17)23-14-20(27(33)34)18-6-1-2-7-22(18)31-23/h1-14H,(H,30,32)(H,33,34)
InChIKeyQSOPJDUKADYJPU-UHFFFAOYSA-N
XLogP7.42
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.34
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17110645
N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
CID 3320353
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
2-[3-(carbamothioylamino)phenyl]quinoline-4-carboxylic acid
CID 169357218
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
2-[5-(2-chlorophenyl)furan-2-yl]-N-naphthalen-2-ylquinoline-4-carboxamide
CID 18871513

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid (CID 5262478) is 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid is O=C(Nc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid?
The InChIKey is QSOPJDUKADYJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2N2O4/c28-16-8-9-19(21(29)13-16)24-10-11-25(35-24)26(32)30-17-5-3-4-15(12-17)23-14-20(27(33)34)18-6-1-2-7-22(18)31-23/h1-14H,(H,30,32)(H,33,34).
What are the key properties of 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid?
2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid has a molecular weight of 503.34 g/mol, XLogP of 7.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 5262478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).