1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C19H14F3NO2 — CID 31841014

IUPAC1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)14-7-8-15-12(10-14)5-3-9-23(15)18(24)17-11-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyPUASWTNVLOIRJN-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.04
Rot. Bonds1

About 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 31841014) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID31841014
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)14-7-8-15-12(10-14)5-3-9-23(15)18(24)17-11-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyPUASWTNVLOIRJN-UHFFFAOYSA-N
XLogP5.04
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-benzofuran-2-yl)methanone
CID 43823655
1-benzofuran-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26466097
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 46686951
(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840743
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
oxan-4-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 52572016
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
(5-methylimidazo[1,2-a]pyridin-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55582024
1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765269
(5-chlorothiophen-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840933
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 31841014) is 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is PUASWTNVLOIRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)14-7-8-15-12(10-14)5-3-9-23(15)18(24)17-11-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11H,3,5,9H2.
What are the key properties of 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 345.32 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 31841014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).