N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

C116H125Cl2F9N18O9 — CID 159908362

IUPACN-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCN1CCC(NCCC(c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)N(CCN(C)C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.CCOc1ccc(-n2c(C(CCNC3CCN(C(C)=O)CC3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNC3CCNCC3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C41H42F4N6O4.C39H40F4N6O3.C36H43Cl2FN6O2/c1-3-55-32-13-11-31(12-14-32)51-39(48-36-9-5-4-8-33(36)40(51)54)37(16-20-47-30-17-21-49(22-18-30)27(2)52)50(26-29-7-6-19-46-25-29)38(53)24-28-10-15-34(35(42)23-28)41(43,44)45;1-2-52-30-12-10-29(11-13-30)49-37(47-34-8-4-3-7-31(34)38(49)51)35(17-21-46-28-15-19-44-20-16-28)48(25-27-6-5-18-45-24-27)36(50)23-26-9-14-32(33(40)22-26)39(41,42)43;1-4-43-19-16-27(17-20-43)40-18-15-33(44(22-21-42(2)3)34(46)24-25-9-14-30(37)31(38)23-25)35-41-32-8-6-5-7-29(32)36(47)45(35)28-12-10-26(39)11-13-28/h4-15,19,23,25,30,37,47H,3,16-18,20-22,24,26H2,1-2H3;3-14,18,22,24,28,35,44,46H,2,15-17,19-21,23,25H2,1H3;5-14,23,27,33,40H,4,15-22,24H2,1-3H3
InChIKeyNWWBINWYKRYYOF-UHFFFAOYSA-N
MW2157.28 g/mol
LogP18.99
Rot. Bonds39

About N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 159908362) has the molecular formula C116H125Cl2F9N18O9 and a molecular weight of 2157.28 g/mol. Its IUPAC name is N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID159908362
Molecular FormulaC116H125Cl2F9N18O9
Molecular Weight2157.28 g/mol
Exact Mass2154.91
IUPAC NameN-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCN1CCC(NCCC(c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)N(CCN(C)C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.CCOc1ccc(-n2c(C(CCNC3CCN(C(C)=O)CC3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNC3CCNCC3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C41H42F4N6O4.C39H40F4N6O3.C36H43Cl2FN6O2/c1-3-55-32-13-11-31(12-14-32)51-39(48-36-9-5-4-8-33(36)40(51)54)37(16-20-47-30-17-21-49(22-18-30)27(2)52)50(26-29-7-6-19-46-25-29)38(53)24-28-10-15-34(35(42)23-28)41(43,44)45;1-2-52-30-12-10-29(11-13-30)49-37(47-34-8-4-3-7-31(34)38(49)51)35(17-21-46-28-15-19-44-20-16-28)48(25-27-6-5-18-45-24-27)36(50)23-26-9-14-32(33(40)22-26)39(41,42)43;1-4-43-19-16-27(17-20-43)40-18-15-33(44(22-21-42(2)3)34(46)24-25-9-14-30(37)31(38)23-25)35-41-32-8-6-5-7-29(32)36(47)45(35)28-12-10-26(39)11-13-28/h4-15,19,23,25,30,37,47H,3,16-18,20-22,24,26H2,1-2H3;3-14,18,22,24,28,35,44,46H,2,15-17,19-21,23,25H2,1H3;5-14,23,27,33,40H,4,15-22,24H2,1-3H3
InChIKeyNWWBINWYKRYYOF-UHFFFAOYSA-N
XLogP18.99
TPSA284.75 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002157.28
LogP ≤ 518.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-[3-[(2-amino-2-oxoethyl)-methylamino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11505813
2-(3,4-dichlorophenyl)-N-[(3R)-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]-(2-morpholin-4-ylethyl)amino]propyl]acetamide
CID 11513447
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11541956
(2R)-N-[3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]-(pyridin-3-ylmethyl)amino]propyl]pyrrolidine-2-carboxamide
CID 11542234
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11578197
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 11607119
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11614699
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-pyridin-4-ylethyl)acetamide
CID 11621654
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11679356
N-[3-[[2-(dimethylamino)acetyl]amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11700451
N-[(1R)-3-[[2-(dimethylamino)acetyl]amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11714638
2-(3,4-dichlorophenyl)-N-[1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 22052281

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide (CID 159908362) is N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide is CCN1CCC(NCCC(c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)N(CCN(C)C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.CCOc1ccc(-n2c(C(CCNC3CCN(C(C)=O)CC3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNC3CCNCC3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is NWWBINWYKRYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42F4N6O4.C39H40F4N6O3.C36H43Cl2FN6O2/c1-3-55-32-13-11-31(12-14-32)51-39(48-36-9-5-4-8-33(36)40(51)54)37(16-20-47-30-17-21-49(22-18-30)27(2)52)50(26-29-7-6-19-46-25-29)38(53)24-28-10-15-34(35(42)23-28)41(43,44)45;1-2-52-30-12-10-29(11-13-30)49-37(47-34-8-4-3-7-31(34)38(49)51)35(17-21-46-28-15-19-44-20-16-28)48(25-27-6-5-18-45-24-27)36(50)23-26-9-14-32(33(40)22-26)39(41,42)43;1-4-43-19-16-27(17-20-43)40-18-15-33(44(22-21-42(2)3)34(46)24-25-9-14-30(37)31(38)23-25)35-41-32-8-6-5-7-29(32)36(47)45(35)28-12-10-26(39)11-13-28/h4-15,19,23,25,30,37,47H,3,16-18,20-22,24,26H2,1-2H3;3-14,18,22,24,28,35,44,46H,2,15-17,19-21,23,25H2,1H3;5-14,23,27,33,40H,4,15-22,24H2,1-3H3.
What are the key properties of N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 2157.28 g/mol, XLogP of 18.99, 39 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-acetylpiperidin-4-yl)amino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(piperidin-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 159908362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).