1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide

C21H19F3N2O2 — CID 30133545

IUPAC1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H19F3N2O2/c1-2-26-13-17(20(28)25-11-10-14-6-4-3-5-7-14)19(27)16-12-15(21(22,23)24)8-9-18(16)26/h3-9,12-13H,2,10-11H2,1H3,(H,25,28)
InChIKeyFUUBNHWVURTHHX-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.01
Rot. Bonds5

About 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide

1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 30133545) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID30133545
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H19F3N2O2/c1-2-26-13-17(20(28)25-11-10-14-6-4-3-5-7-14)19(27)16-12-15(21(22,23)24)8-9-18(16)26/h3-9,12-13H,2,10-11H2,1H3,(H,25,28)
InChIKeyFUUBNHWVURTHHX-UHFFFAOYSA-N
XLogP4.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
6-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775088
Opc 28326
CID 219019
4-Hydroxy-6-methyl-2-phenylquinoline
CID 730810
4-Hydroxy-6-methylquinoline
CID 256080
6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 11521736
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 11673471
6-benzyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 44409492
3-pentanoyl-1H-quinolin-4-one
CID 44560518
6-benzyl-N-(2-fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 49862991
N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-acetamide
CID 669479
N-(2-hydroxyethyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 5295122

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide (CID 30133545) is 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is FUUBNHWVURTHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-2-26-13-17(20(28)25-11-10-14-6-4-3-5-7-14)19(27)16-12-15(21(22,23)24)8-9-18(16)26/h3-9,12-13H,2,10-11H2,1H3,(H,25,28).
What are the key properties of 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-N-(2-phenylethyl)-6-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 30133545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).