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

C38H41F3N4O3 — CID 53464606

IUPAC7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCCOc1ccc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C38H41F3N4O3/c1-2-48-30-11-12-31-33(24-30)42-35(26-7-6-10-28(23-26)38(39,40)41)32(25-44-17-13-29(14-18-44)45-19-21-47-22-20-45)34(31)36(46)43-37(15-16-37)27-8-4-3-5-9-27/h3-12,23-24,29H,2,13-22,25H2,1H3,(H,43,46)
InChIKeyHOIXRJYVXJZXSS-UHFFFAOYSA-N
MW658.77 g/mol
LogP7.03
Rot. Bonds9

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

7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 53464606) has the molecular formula C38H41F3N4O3 and a molecular weight of 658.77 g/mol. Its IUPAC name is 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID53464606
Molecular FormulaC38H41F3N4O3
Molecular Weight658.77 g/mol
Exact Mass658.31
IUPAC Name7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCCOc1ccc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C38H41F3N4O3/c1-2-48-30-11-12-31-33(24-30)42-35(26-7-6-10-28(23-26)38(39,40)41)32(25-44-17-13-29(14-18-44)45-19-21-47-22-20-45)34(31)36(46)43-37(15-16-37)27-8-4-3-5-9-27/h3-12,23-24,29H,2,13-22,25H2,1H3,(H,43,46)
InChIKeyHOIXRJYVXJZXSS-UHFFFAOYSA-N
XLogP7.03
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.77
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-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

7-Methoxy-2-phenyl-quinoline-4-carboxylic acid phenethyl-amide
CID 10177949
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
CID 10270385
6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10508048
[(7-Methoxy-2-phenyl-quinoline-4-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 10788556
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-phenylpiperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 18379443
7-ethoxy-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 53464607
7-ethoxy-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 53465062
7-methoxy-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 53465181
7-hydroxy-N-[(1S)-2-methyl-1-phenylpropyl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 135452959
N-[(1S)-1-cyclohexylethyl]-7-hydroxy-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 135536971
[2-(4-Methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone
CID 1331320

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 53464606) is 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is CCOc1ccc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is HOIXRJYVXJZXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41F3N4O3/c1-2-48-30-11-12-31-33(24-30)42-35(26-7-6-10-28(23-26)38(39,40)41)32(25-44-17-13-29(14-18-44)45-19-21-47-22-20-45)34(31)36(46)43-37(15-16-37)27-8-4-3-5-9-27/h3-12,23-24,29H,2,13-22,25H2,1H3,(H,43,46).
What are the key properties of 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 658.77 g/mol, XLogP of 7.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 53464606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).