2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

C11H9F3N2O — CID 15500438

IUPAC2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-6-3-1-2-4-8(6)16-10(17)7(9)5-15/h1-4H2,(H,16,17)
InChIKeyPFQSBAJXRTXUPE-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.14
Rot. Bonds

About 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 15500438) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID15500438
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-6-3-1-2-4-8(6)16-10(17)7(9)5-15/h1-4H2,(H,16,17)
InChIKeyPFQSBAJXRTXUPE-UHFFFAOYSA-N
XLogP2.14
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2768260
CID 2768260
CID 7784472
CID 7784472
CID 3773502
CID 3773502
CID 4365944
CID 4365944
CID 44345369
CID 44345369
CID 45286043
CID 45286043
CID 387811
CID 387811
CID 2760282
CID 2760282
CID 23796593
CID 23796593
CID 44345515
CID 44345515
CID 15365066
CID 15365066
CID 45490196
CID 45490196

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 15500438) is 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is N#Cc1c(C(F)(F)F)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is PFQSBAJXRTXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)9-6-3-1-2-4-8(6)16-10(17)7(9)5-15/h1-4H2,(H,16,17).
What are the key properties of 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 242.20 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 15500438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).