[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone

C20H19F3N2O4 — CID 51942560

IUPAC[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-14-7-8-15-13(12-14)4-1-9-24(15)18(26)16-5-2-10-25(16)19(27)17-6-3-11-28-17/h3,6-8,11-12,16H,1-2,4-5,9-10H2/t16-/m0/s1
InChIKeySMBCNSIDEGUTGM-INIZCTEOSA-N
MW408.38 g/mol
LogP3.76
Rot. Bonds3

About [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone

[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 51942560) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID51942560
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Name[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-14-7-8-15-13(12-14)4-1-9-24(15)18(26)16-5-2-10-25(16)19(27)17-6-3-11-28-17/h3,6-8,11-12,16H,1-2,4-5,9-10H2/t16-/m0/s1
InChIKeySMBCNSIDEGUTGM-INIZCTEOSA-N
XLogP3.76
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55599794
N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide
CID 55671808
1-(furan-2-carbonyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 46399806
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944835
4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile
CID 99837253
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
2,2-dimethyl-3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 60530285
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(1-benzoylpyrrolidin-2-yl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112822377
ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71919929
2-[4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile
CID 55671661

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 51942560) is [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is SMBCNSIDEGUTGM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c21-20(22,23)29-14-7-8-15-13(12-14)4-1-9-24(15)18(26)16-5-2-10-25(16)19(27)17-6-3-11-28-17/h3,6-8,11-12,16H,1-2,4-5,9-10H2/t16-/m0/s1.
What are the key properties of [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 408.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 51942560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).