(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate

C121H94Cl6F2N28O6 — CID 158600237

About (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate

(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate (PubChem CID 158600237) has the molecular formula C121H94Cl6F2N28O6 and a molecular weight of 2286.99 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate
• PubChem CID: 158600237
• Molecular Formula: C121H94Cl6F2N28O6
• Molecular Weight: 2286.99 g/mol
• Exact Mass: 2282.60
• IUPAC Name: (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate
• SMILES: CC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)(c1ccccc1F)c1cncn1C.CC(=O)NC(c1cccc(F)c1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1C.CC(C)n1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.COC(=O)C(Cc1ccccc1)NC(=O)NC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1C
• InChI: InChI=1S/C37H30Cl2N8O3.C28H22Cl2N6O.2C28H21ClFN7O/c1-46-22-40-21-33(46)37(25-11-14-27(38)15-12-25,42-36(49)41-31(35(48)50-2)17-23-7-4-3-5-8-23)26-13-16-32-30(19-26)29(20-34-43-44-45-47(32)34)24-9-6-10-28(39)18-24;1-17(2)35-16-31-15-26(35)28(37,19-6-9-21(29)10-7-19)20-8-11-25-24(13-20)23(14-27-32-33-34-36(25)27)18-4-3-5-22(30)12-18;1-17(38)32-28(26-15-31-16-36(26)2,19-6-4-8-22(30)12-19)20-9-10-25-24(13-20)23(14-27-33-34-35-37(25)27)18-5-3-7-21(29)11-18;1-17(38)32-28(26-15-31-16-36(26)2,23-8-3-4-9-24(23)30)19-10-11-25-22(13-19)21(14-27-33-34-35-37(25)27)18-6-5-7-20(29)12-18/h3-16,18-22,31H,17H2,1-2H3,(H2,41,42,49);3-17,37H,1-2H3;2*3-16H,1-2H3,(H,32,38)
• InChIKey: HVNTWIZDACDKAV-UHFFFAOYSA-N
• XLogP: 22.47
• TPSA: 389.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2286.99
LogP ≤ 5	22.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate?

The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate (CID 158600237) is (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate.

What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate?

The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate is CC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)(c1ccccc1F)c1cncn1C.CC(=O)NC(c1cccc(F)c1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1C.CC(C)n1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.COC(=O)C(Cc1ccccc1)NC(=O)NC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1C.

What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate?

The InChIKey is HVNTWIZDACDKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30Cl2N8O3.C28H22Cl2N6O.2C28H21ClFN7O/c1-46-22-40-21-33(46)37(25-11-14-27(38)15-12-25,42-36(49)41-31(35(48)50-2)17-23-7-4-3-5-8-23)26-13-16-32-30(19-26)29(20-34-43-44-45-47(32)34)24-9-6-10-28(39)18-24;1-17(2)35-16-31-15-26(35)28(37,19-6-9-21(29)10-7-19)20-8-11-25-24(13-20)23(14-27-32-33-34-36(25)27)18-4-3-5-22(30)12-18;1-17(38)32-28(26-15-31-16-36(26)2,19-6-4-8-22(30)12-19)20-9-10-25-24(13-20)23(14-27-33-34-35-37(25)27)18-5-3-7-21(29)11-18;1-17(38)32-28(26-15-31-16-36(26)2,23-8-3-4-9-24(23)30)19-10-11-25-22(13-19)21(14-27-33-34-35-37(25)27)18-6-5-7-20(29)12-18/h3-16,18-22,31H,17H2,1-2H3,(H2,41,42,49);3-17,37H,1-2H3;2*3-16H,1-2H3,(H,32,38).

What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate?

(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate has a molecular weight of 2286.99 g/mol, XLogP of 22.47, 24 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-propan-2-ylimidazol-4-yl)methanol;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;N-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methyl]acetamide;methyl 2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 158600237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).