6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide

C21H16ClF3N2O3 — CID 58525526

IUPAC6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1cc(CC(=O)Cc2cccc(Cl)c2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12
InChIInChI=1S/C21H16ClF3N2O3/c1-11-5-13(8-15(28)7-12-3-2-4-14(22)6-12)9-16-18(21(23,24)25)17(20(29)27-30)10-26-19(11)16/h2-6,9-10,30H,7-8H2,1H3,(H,27,29)
InChIKeyXOQDKTQTWDKJPB-UHFFFAOYSA-N
MW436.82 g/mol
LogP4.69
Rot. Bonds5

About 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide

6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 58525526) has the molecular formula C21H16ClF3N2O3 and a molecular weight of 436.82 g/mol. Its IUPAC name is 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID58525526
Molecular FormulaC21H16ClF3N2O3
Molecular Weight436.82 g/mol
Exact Mass436.08
IUPAC Name6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1cc(CC(=O)Cc2cccc(Cl)c2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12
InChIInChI=1S/C21H16ClF3N2O3/c1-11-5-13(8-15(28)7-12-3-2-4-14(22)6-12)9-16-18(21(23,24)25)17(20(29)27-30)10-26-19(11)16/h2-6,9-10,30H,7-8H2,1H3,(H,27,29)
InChIKeyXOQDKTQTWDKJPB-UHFFFAOYSA-N
XLogP4.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide (CID 58525526) is 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide is Cc1cc(CC(=O)Cc2cccc(Cl)c2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12.
What is the InChIKey of 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is XOQDKTQTWDKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3/c1-11-5-13(8-15(28)7-12-3-2-4-14(22)6-12)9-16-18(21(23,24)25)17(20(29)27-30)10-26-19(11)16/h2-6,9-10,30H,7-8H2,1H3,(H,27,29).
What are the key properties of 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide?
6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 58525526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).