N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide

C20H18F3N3O — CID 117079660

IUPACN-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C20H18F3N3O/c1-2-11-24-19(27)16-12-18(26-17-6-4-3-5-15(16)17)25-14-9-7-13(8-10-14)20(21,22)23/h3-10,12H,2,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyMYEJFWDGFLGRDJ-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.14
Rot. Bonds5

About N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide

N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide (PubChem CID 117079660) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
PubChem CID117079660
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C20H18F3N3O/c1-2-11-24-19(27)16-12-18(26-17-6-4-3-5-15(16)17)25-14-9-7-13(8-10-14)20(21,22)23/h3-10,12H,2,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyMYEJFWDGFLGRDJ-UHFFFAOYSA-N
XLogP5.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide 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-butyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide
CID 15997804
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
CID 62170948
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
N-[3-(N-butylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854620
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-[3-(trifluoromethyl)anilino]quinoline-4-carboxylate
CID 3503074
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854615
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854614

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide?
The IUPAC name of N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide (CID 117079660) is N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide.
What is the SMILES notation for N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide?
The canonical SMILES for N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide is CCCNC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc2ccccc12.
What is the InChIKey of N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide?
The InChIKey is MYEJFWDGFLGRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-2-11-24-19(27)16-12-18(26-17-6-4-3-5-15(16)17)25-14-9-7-13(8-10-14)20(21,22)23/h3-10,12H,2,11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide?
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide is sourced from PubChem (CID 117079660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).