6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile

C19H11F3N2O — CID 168904725

IUPAC6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile
SMILESCCc1cc(-c2ccc(OC(F)(F)F)cc2)c2ncc#cc2c1C#N
InChIInChI=1S/C19H11F3N2O/c1-2-12-10-16(18-15(17(12)11-23)4-3-9-24-18)13-5-7-14(8-6-13)25-19(20,21)22/h5-10H,2H2,1H3
InChIKeyLTZOMSJEXLAPBO-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.83
Rot. Bonds3

About 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile

6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile (PubChem CID 168904725) has the molecular formula C19H11F3N2O and a molecular weight of 340.30 g/mol. Its IUPAC name is 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile.

Molecular Properties

Compound Name6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile
PubChem CID168904725
Molecular FormulaC19H11F3N2O
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile
SMILESCCc1cc(-c2ccc(OC(F)(F)F)cc2)c2ncc#cc2c1C#N
InChIInChI=1S/C19H11F3N2O/c1-2-12-10-16(18-15(17(12)11-23)4-3-9-24-18)13-5-7-14(8-6-13)25-19(20,21)22/h5-10H,2H2,1H3
InChIKeyLTZOMSJEXLAPBO-UHFFFAOYSA-N
XLogP4.83
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-cyano-3-ethyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methyl]prop-2-enamide
CID 168905481
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3362049
4-(4-ethoxyphenyl)-3-(trifluoromethoxy)benzonitrile
CID 172648710
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
2-methylsulfanyl-6-oxo-4-[3-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-1H-pyrimidine-5-carbonitrile
CID 168587848
tert-butyl N-[[3-but-2-ynylsulfanyl-2-cyano-4-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methyl]carbamate
CID 168905165
N-[[5-cyano-8-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinolin-6-yl]methyl]prop-2-enamide
CID 168904929
[4-[2-[3-ethyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethynyl]-2,6-difluorophenyl] thiocyanate
CID 155260835

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile?
The IUPAC name of 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile (CID 168904725) is 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile.
What is the SMILES notation for 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile?
The canonical SMILES for 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile is CCc1cc(-c2ccc(OC(F)(F)F)cc2)c2ncc#cc2c1C#N.
What is the InChIKey of 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile?
The InChIKey is LTZOMSJEXLAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O/c1-2-12-10-16(18-15(17(12)11-23)4-3-9-24-18)13-5-7-14(8-6-13)25-19(20,21)22/h5-10H,2H2,1H3.
What are the key properties of 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile?
6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile has a molecular weight of 340.30 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-[4-(trifluoromethoxy)phenyl]-3,4-didehydroquinoline-5-carbonitrile is sourced from PubChem (CID 168904725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).