N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

C23H20F3N3O3 — CID 155968620

IUPACN-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCCc1ccc2c(c1)C(CCNC(=O)c1cc3ccc(C(F)(F)F)cc3[nH]c1=O)C(=O)N2
InChIInChI=1S/C23H20F3N3O3/c1-2-12-3-6-18-16(9-12)15(21(31)28-18)7-8-27-20(30)17-10-13-4-5-14(23(24,25)26)11-19(13)29-22(17)32/h3-6,9-11,15H,2,7-8H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyMNXWLNHNXQFTAN-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 155968620) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID155968620
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC NameN-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCCc1ccc2c(c1)C(CCNC(=O)c1cc3ccc(C(F)(F)F)cc3[nH]c1=O)C(=O)N2
InChIInChI=1S/C23H20F3N3O3/c1-2-12-3-6-18-16(9-12)15(21(31)28-18)7-8-27-20(30)17-10-13-4-5-14(23(24,25)26)11-19(13)29-22(17)32/h3-6,9-11,15H,2,7-8H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyMNXWLNHNXQFTAN-UHFFFAOYSA-N
XLogP3.97
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 155968620) is N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide is CCc1ccc2c(c1)C(CCNC(=O)c1cc3ccc(C(F)(F)F)cc3[nH]c1=O)C(=O)N2.
What is the InChIKey of N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is MNXWLNHNXQFTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-2-12-3-6-18-16(9-12)15(21(31)28-18)7-8-27-20(30)17-10-13-4-5-14(23(24,25)26)11-19(13)29-22(17)32/h3-6,9-11,15H,2,7-8H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155968620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).