[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

C19H19F3N2O4 — CID 7507948

IUPAC[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H19F3N2O4/c1-11(12-6-7-12)24(10-19(20,21)22)17(26)9-28-18(27)15-8-16(25)13-4-2-3-5-14(13)23-15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyLULWFMCRFKUNCP-LLVKDONJSA-N
MW396.37 g/mol
LogP2.87
Rot. Bonds6

About [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507948) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507948
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H19F3N2O4/c1-11(12-6-7-12)24(10-19(20,21)22)17(26)9-28-18(27)15-8-16(25)13-4-2-3-5-14(13)23-15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyLULWFMCRFKUNCP-LLVKDONJSA-N
XLogP2.87
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate with MolForge

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Related Compounds

N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 71900831
[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 42889737
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7508175
N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775243
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504252
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504437
cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
CID 7507953
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7508186
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
2-(2-aminoethoxy)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79473073
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507129

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (CID 7507948) is [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is LULWFMCRFKUNCP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-11(12-6-7-12)24(10-19(20,21)22)17(26)9-28-18(27)15-8-16(25)13-4-2-3-5-14(13)23-15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,23,25)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 396.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).