N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide

C22H17F3N2O2S — CID 27555225

IUPACN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O2S/c23-22(24,25)16-8-5-15(6-9-16)20(28)26-17-10-7-14-3-1-11-27(18(14)13-17)21(29)19-4-2-12-30-19/h2,4-10,12-13H,1,3,11H2,(H,26,28)
InChIKeyKAKBETBYBJJEKB-UHFFFAOYSA-N
MW430.45 g/mol
LogP5.61
Rot. Bonds3

About N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide (PubChem CID 27555225) has the molecular formula C22H17F3N2O2S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
PubChem CID27555225
Molecular FormulaC22H17F3N2O2S
Molecular Weight430.45 g/mol
Exact Mass430.10
IUPAC NameN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O2S/c23-22(24,25)16-8-5-15(6-9-16)20(28)26-17-10-7-14-3-1-11-27(18(14)13-17)21(29)19-4-2-12-30-19/h2,4-10,12-13H,1,3,11H2,(H,26,28)
InChIKeyKAKBETBYBJJEKB-UHFFFAOYSA-N
XLogP5.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide 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

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
4-propan-2-yloxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517377
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
4-methyl-3-nitro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835038
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517433
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835024
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide
CID 71806584
2-methyl-3-nitro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835023

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide (CID 27555225) is N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is KAKBETBYBJJEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2S/c23-22(24,25)16-8-5-15(6-9-16)20(28)26-17-10-7-14-3-1-11-27(18(14)13-17)21(29)19-4-2-12-30-19/h2,4-10,12-13H,1,3,11H2,(H,26,28).
What are the key properties of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide?
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 430.45 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 27555225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).