N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide

C149H184Cl6F4N20O16 — CID 158219831

About N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide

N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 158219831) has the molecular formula C149H184Cl6F4N20O16 and a molecular weight of 2799.94 g/mol. Its IUPAC name is N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide
• PubChem CID: 158219831
• Molecular Formula: C149H184Cl6F4N20O16
• Molecular Weight: 2799.94 g/mol
• Exact Mass: 2795.23
• IUPAC Name: N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide
• SMILES: CCCCCCN(CCCCCC)CCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCN(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1.CCOc1ccc(-n2c(C(CCCNC(=O)OC(C)(C)C)N(CCN(C)C)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCCNC(=O)OC(C)(C)C)N(CCN(C)C)C(=O)Cc3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(C(CCCN)N(CCN(C)C)C(=O)Cc3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C43H59Cl2N5O3.C38H45F4N5O5.C37H45Cl2N5O5.C31H35Cl2N5O3/c1-6-8-10-14-26-48(27-15-11-9-7-2)28-16-19-40(49(30-29-47(3)4)41(51)32-33-20-25-37(44)38(45)31-33)42-46-39-18-13-12-17-36(39)43(52)50(42)34-21-23-35(53-5)24-22-34;1-7-51-27-17-15-26(16-18-27)47-34(44-31-12-9-8-11-28(31)35(47)49)32(13-10-20-43-36(50)52-37(2,3)4)46(22-21-45(5)6)33(48)24-25-14-19-29(30(39)23-25)38(40,41)42;1-7-48-27-17-15-26(16-18-27)44-34(41-31-12-9-8-11-28(31)35(44)46)32(13-10-20-40-36(47)49-37(2,3)4)43(22-21-42(5)6)33(45)24-25-14-19-29(38)30(39)23-25;1-36(2)17-18-37(29(39)20-21-10-15-25(32)26(33)19-21)28(9-6-16-34)30-35-27-8-5-4-7-24(27)31(40)38(30)22-11-13-23(41-3)14-12-22/h12-13,17-18,20-25,31,40H,6-11,14-16,19,26-30,32H2,1-5H3;8-9,11-12,14-19,23,32H,7,10,13,20-22,24H2,1-6H3,(H,43,50);8-9,11-12,14-19,23,32H,7,10,13,20-22,24H2,1-6H3,(H,40,47);4-5,7-8,10-15,19,28H,6,9,16-18,20,34H2,1-3H3
• InChIKey: GDCNWHMKLMGVSC-UHFFFAOYSA-N
• XLogP: 28.72
• TPSA: 376.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 63
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.94
LogP ≤ 5	28.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide?

The IUPAC name of N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide (CID 158219831) is N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide.

What is the SMILES notation for N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide?

The canonical SMILES for N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide is CCCCCCN(CCCCCC)CCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCN(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1.CCOc1ccc(-n2c(C(CCCNC(=O)OC(C)(C)C)N(CCN(C)C)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCCNC(=O)OC(C)(C)C)N(CCN(C)C)C(=O)Cc3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(C(CCCN)N(CCN(C)C)C(=O)Cc3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1.

What is the InChIKey of N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide?

The InChIKey is GDCNWHMKLMGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59Cl2N5O3.C38H45F4N5O5.C37H45Cl2N5O5.C31H35Cl2N5O3/c1-6-8-10-14-26-48(27-15-11-9-7-2)28-16-19-40(49(30-29-47(3)4)41(51)32-33-20-25-37(44)38(45)31-33)42-46-39-18-13-12-17-36(39)43(52)50(42)34-21-23-35(53-5)24-22-34;1-7-51-27-17-15-26(16-18-27)47-34(44-31-12-9-8-11-28(31)35(47)49)32(13-10-20-43-36(50)52-37(2,3)4)46(22-21-45(5)6)33(48)24-25-14-19-29(30(39)23-25)38(40,41)42;1-7-48-27-17-15-26(16-18-27)44-34(41-31-12-9-8-11-28(31)35(44)46)32(13-10-20-40-36(47)49-37(2,3)4)43(22-21-42(5)6)33(45)24-25-14-19-29(38)30(39)23-25;1-36(2)17-18-37(29(39)20-21-10-15-25(32)26(33)19-21)28(9-6-16-34)30-35-27-8-5-4-7-24(27)31(40)38(30)22-11-13-23(41-3)14-12-22/h12-13,17-18,20-25,31,40H,6-11,14-16,19,26-30,32H2,1-5H3;8-9,11-12,14-19,23,32H,7,10,13,20-22,24H2,1-6H3,(H,43,50);8-9,11-12,14-19,23,32H,7,10,13,20-22,24H2,1-6H3,(H,40,47);4-5,7-8,10-15,19,28H,6,9,16-18,20,34H2,1-3H3.

What are the key properties of N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide?

N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 2799.94 g/mol, XLogP of 28.72, 63 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 158219831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).