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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).