2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

C120H112Cl2F8N16O14S5 — CID 160702784

IUPAC2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(C(CCNC)N(CCN3CCOCC3)C(=O)Cc3ccc(-c4ccc(Cl)c(Cl)c4)cc3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3ccc(-c4csc(C)n4)s3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3cccs3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C42H36F4N6O5S3.C40H43Cl2N5O4.C38H33F4N5O5S2/c1-3-57-30-13-11-29(12-14-30)52-40(50-34-9-5-4-8-31(34)41(52)54)36(18-20-48-60(55,56)39-17-16-37(59-39)35-25-58-26(2)49-35)51(24-28-7-6-19-47-23-28)38(53)22-27-10-15-32(33(43)21-27)42(44,45)46;1-3-51-32-15-13-31(14-16-32)47-39(44-36-7-5-4-6-33(36)40(47)49)37(18-19-43-2)46(21-20-45-22-24-50-25-23-45)38(48)26-28-8-10-29(11-9-28)30-12-17-34(41)35(42)27-30;1-2-52-28-14-12-27(13-15-28)47-36(45-32-9-4-3-8-29(32)37(47)49)33(17-19-44-54(50,51)35-10-6-20-53-35)46(24-26-7-5-18-43-23-26)34(48)22-25-11-16-30(31(39)21-25)38(40,41)42/h4-17,19,21,23,25,36,48H,3,18,20,22,24H2,1-2H3;4-17,27,37,43H,3,18-26H2,1-2H3;3-16,18,20-21,23,33,44H,2,17,19,22,24H2,1H3
InChIKeyRQVJUQAPAAWWDO-UHFFFAOYSA-N
MW2385.54 g/mol
LogP22.40
Rot. Bonds43

About 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 160702784) has the molecular formula C120H112Cl2F8N16O14S5 and a molecular weight of 2385.54 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID160702784
Molecular FormulaC120H112Cl2F8N16O14S5
Molecular Weight2385.54 g/mol
Exact Mass2382.64
IUPAC Name2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(C(CCNC)N(CCN3CCOCC3)C(=O)Cc3ccc(-c4ccc(Cl)c(Cl)c4)cc3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3ccc(-c4csc(C)n4)s3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3cccs3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C42H36F4N6O5S3.C40H43Cl2N5O4.C38H33F4N5O5S2/c1-3-57-30-13-11-29(12-14-30)52-40(50-34-9-5-4-8-31(34)41(52)54)36(18-20-48-60(55,56)39-17-16-37(59-39)35-25-58-26(2)49-35)51(24-28-7-6-19-47-23-28)38(53)22-27-10-15-32(33(43)21-27)42(44,45)46;1-3-51-32-15-13-31(14-16-32)47-39(44-36-7-5-4-6-33(36)40(47)49)37(18-19-43-2)46(21-20-45-22-24-50-25-23-45)38(48)26-28-8-10-29(11-9-28)30-12-17-34(41)35(42)27-30;1-2-52-28-14-12-27(13-15-28)47-36(45-32-9-4-3-8-29(32)37(47)49)33(17-19-44-54(50,51)35-10-6-20-53-35)46(24-26-7-5-18-43-23-26)34(48)22-25-11-16-30(31(39)21-25)38(40,41)42/h4-17,19,21,23,25,36,48H,3,18,20,22,24H2,1-2H3;4-17,27,37,43H,3,18-26H2,1-2H3;3-16,18,20-21,23,33,44H,2,17,19,22,24H2,1H3
InChIKeyRQVJUQAPAAWWDO-UHFFFAOYSA-N
XLogP22.40
TPSA348.80 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds43
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002385.54
LogP ≤ 522.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide (CID 160702784) is 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide is CCOc1ccc(-n2c(C(CCNC)N(CCN3CCOCC3)C(=O)Cc3ccc(-c4ccc(Cl)c(Cl)c4)cc3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3ccc(-c4csc(C)n4)s3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3cccs3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RQVJUQAPAAWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36F4N6O5S3.C40H43Cl2N5O4.C38H33F4N5O5S2/c1-3-57-30-13-11-29(12-14-30)52-40(50-34-9-5-4-8-31(34)41(52)54)36(18-20-48-60(55,56)39-17-16-37(59-39)35-25-58-26(2)49-35)51(24-28-7-6-19-47-23-28)38(53)22-27-10-15-32(33(43)21-27)42(44,45)46;1-3-51-32-15-13-31(14-16-32)47-39(44-36-7-5-4-6-33(36)40(47)49)37(18-19-43-2)46(21-20-45-22-24-50-25-23-45)38(48)26-28-8-10-29(11-9-28)30-12-17-34(41)35(42)27-30;1-2-52-28-14-12-27(13-15-28)47-36(45-32-9-4-3-8-29(32)37(47)49)33(17-19-44-54(50,51)35-10-6-20-53-35)46(24-26-7-5-18-43-23-26)34(48)22-25-11-16-30(31(39)21-25)38(40,41)42/h4-17,19,21,23,25,36,48H,3,18,20,22,24H2,1-2H3;4-17,27,37,43H,3,18-26H2,1-2H3;3-16,18,20-21,23,33,44H,2,17,19,22,24H2,1H3.
What are the key properties of 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 2385.54 g/mol, XLogP of 22.40, 43 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)phenyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 160702784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).