N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide

C32H23F4N3O2 — CID 10120287

IUPACN-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
SMILESCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1)c1ccc(F)cc1
InChIInChI=1S/C32H23F4N3O2/c1-19(20-8-13-25(33)14-9-20)38-30(40)23-16-22-10-15-26(17-29(22)37-18-23)39-31(41)28-5-3-2-4-27(28)21-6-11-24(12-7-21)32(34,35)36/h2-19H,1H3,(H,38,40)(H,39,41)
InChIKeyBOMSMUSOKXPBOH-UHFFFAOYSA-N
MW557.55 g/mol
LogP7.80
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide

N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide (PubChem CID 10120287) has the molecular formula C32H23F4N3O2 and a molecular weight of 557.55 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
PubChem CID10120287
Molecular FormulaC32H23F4N3O2
Molecular Weight557.55 g/mol
Exact Mass557.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
SMILESCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1)c1ccc(F)cc1
InChIInChI=1S/C32H23F4N3O2/c1-19(20-8-13-25(33)14-9-20)38-30(40)23-16-22-10-15-26(17-29(22)37-18-23)39-31(41)28-5-3-2-4-27(28)21-6-11-24(12-7-21)32(34,35)36/h2-19H,1H3,(H,38,40)(H,39,41)
InChIKeyBOMSMUSOKXPBOH-UHFFFAOYSA-N
XLogP7.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.55
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-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

4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 44520886
XR-9577
CID 15950351
2-{4-[({3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetamide
CID 23648484
Quinoline 38
CID 23648486
4-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 9932896
4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 11248796
2-Methyl-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
CID 11409185
4-(4-fluorophenyl)-N-[8-fluoro-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436094
4'-Methyl-N-[8-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl][1,1'-biphenyl]-4-carboxamide
CID 18436117
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492818
2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53492821

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide (CID 10120287) is N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide is CC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The InChIKey is BOMSMUSOKXPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F4N3O2/c1-19(20-8-13-25(33)14-9-20)38-30(40)23-16-22-10-15-26(17-29(22)37-18-23)39-31(41)28-5-3-2-4-27(28)21-6-11-24(12-7-21)32(34,35)36/h2-19H,1H3,(H,38,40)(H,39,41).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide has a molecular weight of 557.55 g/mol, XLogP of 7.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide is sourced from PubChem (CID 10120287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).