2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C27H15Cl2F3N2O2 — CID 3320356

IUPAC2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C27H15Cl2F3N2O2/c28-16-7-10-21(29)20(13-16)24-11-12-25(36-24)23-14-19(18-3-1-2-4-22(18)34-23)26(35)33-17-8-5-15(6-9-17)27(30,31)32/h1-14H,(H,33,35)
InChIKeySQBASBRQMJIWKB-UHFFFAOYSA-N
MW527.33 g/mol
LogP8.74
Rot. Bonds4

About 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide

2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 3320356) has the molecular formula C27H15Cl2F3N2O2 and a molecular weight of 527.33 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID3320356
Molecular FormulaC27H15Cl2F3N2O2
Molecular Weight527.33 g/mol
Exact Mass526.05
IUPAC Name2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12
InChIInChI=1S/C27H15Cl2F3N2O2/c28-16-7-10-21(29)20(13-16)24-11-12-25(36-24)23-14-19(18-3-1-2-4-22(18)34-23)26(35)33-17-8-5-15(6-9-17)27(30,31)32/h1-14H,(H,33,35)
InChIKeySQBASBRQMJIWKB-UHFFFAOYSA-N
XLogP8.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.33
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
CID 3320353
2-[5-(2-chlorophenyl)furan-2-yl]-N-naphthalen-2-ylquinoline-4-carboxamide
CID 18871513
2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 18871528
6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate
CID 2025545
2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3128616
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042034
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 18871547
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 3320356) is 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12.
What is the InChIKey of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is SQBASBRQMJIWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15Cl2F3N2O2/c28-16-7-10-21(29)20(13-16)24-11-12-25(36-24)23-14-19(18-3-1-2-4-22(18)34-23)26(35)33-17-8-5-15(6-9-17)27(30,31)32/h1-14H,(H,33,35).
What are the key properties of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 527.33 g/mol, XLogP of 8.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3320356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).