7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C41H47F3N4O2 — CID 53465254

IUPAC7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCC(C)COc1ccc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N4CCCCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C41H47F3N4O2/c1-28(2)27-50-33-14-15-34-36(25-33)45-38(29-10-9-13-31(24-29)41(42,43)44)35(26-47-22-16-32(17-23-47)48-20-7-4-8-21-48)37(34)39(49)46-40(18-19-40)30-11-5-3-6-12-30/h3,5-6,9-15,24-25,28,32H,4,7-8,16-23,26-27H2,1-2H3,(H,46,49)
InChIKeyXBHLBGGNVZXBDH-UHFFFAOYSA-N
MW684.85 g/mol
LogP8.82
Rot. Bonds10

About 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 53465254) has the molecular formula C41H47F3N4O2 and a molecular weight of 684.85 g/mol. Its IUPAC name is 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID53465254
Molecular FormulaC41H47F3N4O2
Molecular Weight684.85 g/mol
Exact Mass684.37
IUPAC Name7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCC(C)COc1ccc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N4CCCCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C41H47F3N4O2/c1-28(2)27-50-33-14-15-34-36(25-33)45-38(29-10-9-13-31(24-29)41(42,43)44)35(26-47-22-16-32(17-23-47)48-20-7-4-8-21-48)37(34)39(49)46-40(18-19-40)30-11-5-3-6-12-30/h3,5-6,9-15,24-25,28,32H,4,7-8,16-23,26-27H2,1-2H3,(H,46,49)
InChIKeyXBHLBGGNVZXBDH-UHFFFAOYSA-N
XLogP8.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.85
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]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

2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
N-(1-ethyl-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10140438
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid phenethyl-amide
CID 10177949
N-(1-(2-fluoroethyl)-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10185100
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
CID 10270385
N-(4-(2-(hydroxyamino)-2-oxoethyl)-1-propylpiperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10300077
(3S,4S)-1-tert-butyl-N-hydroxy-3-(4-((2-methylquinolin-4-yl)methoxy)benzamido)piperidine-4-carboxamide
CID 10390866
6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10508048
N-(1-tert-butyl-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 18379187
N-(1-benzyl-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 18379210
N-(4-(2-(hydroxyamino)-2-oxoethyl)-1-isobutyrylpiperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 18379235
N-(4-(2-(hydroxyamino)-2-oxoethyl)-1-(3-methylbutanoyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 18379435

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 53465254) is 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is CC(C)COc1ccc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N4CCCCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is XBHLBGGNVZXBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47F3N4O2/c1-28(2)27-50-33-14-15-34-36(25-33)45-38(29-10-9-13-31(24-29)41(42,43)44)35(26-47-22-16-32(17-23-47)48-20-7-4-8-21-48)37(34)39(49)46-40(18-19-40)30-11-5-3-6-12-30/h3,5-6,9-15,24-25,28,32H,4,7-8,16-23,26-27H2,1-2H3,(H,46,49).
What are the key properties of 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 684.85 g/mol, XLogP of 8.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropoxy)-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 53465254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).