[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile

C82H60Cl3N17O4 — CID 157356368

About [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile

[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 157356368) has the molecular formula C82H60Cl3N17O4 and a molecular weight of 1453.86 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

• Compound Name: [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
• PubChem CID: 157356368
• Molecular Formula: C82H60Cl3N17O4
• Molecular Weight: 1453.86 g/mol
• Exact Mass: 1451.41
• IUPAC Name: [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
• SMILES: Cc1cccc(-c2cc3nnnn3c3ccc(C(O)c4cncn4Cc4ccc(Cl)cc4)cc23)c1.Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(O)c3cncn3Cc3ccc(C#N)cc3)ccc21.N#Cc1ccc(Cn2cncc2C(O)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nnnn23)cc1
• InChI: InChI=1S/C28H21ClN4O2.C27H18ClN7O.C27H21ClN6O/c1-32-25-10-9-21(12-24(25)23(13-27(32)34)20-3-2-4-22(29)11-20)28(35)26-15-31-17-33(26)16-19-7-5-18(14-30)6-8-19;28-21-3-1-2-19(10-21)22-12-26-31-32-33-35(26)24-9-8-20(11-23(22)24)27(36)25-14-30-16-34(25)15-18-6-4-17(13-29)5-7-18;1-17-3-2-4-19(11-17)22-13-26-30-31-32-34(26)24-10-7-20(12-23(22)24)27(35)25-14-29-16-33(25)15-18-5-8-21(28)9-6-18/h2-13,15,17,28,35H,16H2,1H3;1-12,14,16,27,36H,15H2;2-14,16,27,35H,15H2,1H3
• InChIKey: BICYIEIRWYHDLO-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 269.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.86
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile?

The IUPAC name of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile (CID 157356368) is [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile.

What is the SMILES notation for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile?

The canonical SMILES for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile is Cc1cccc(-c2cc3nnnn3c3ccc(C(O)c4cncn4Cc4ccc(Cl)cc4)cc23)c1.Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(O)c3cncn3Cc3ccc(C#N)cc3)ccc21.N#Cc1ccc(Cn2cncc2C(O)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nnnn23)cc1.

What is the InChIKey of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile?

The InChIKey is BICYIEIRWYHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O2.C27H18ClN7O.C27H21ClN6O/c1-32-25-10-9-21(12-24(25)23(13-27(32)34)20-3-2-4-22(29)11-20)28(35)26-15-31-17-33(26)16-19-7-5-18(14-30)6-8-19;28-21-3-1-2-19(10-21)22-12-26-31-32-33-35(26)24-9-8-20(11-23(22)24)27(36)25-14-30-16-34(25)15-18-6-4-17(13-29)5-7-18;1-17-3-2-4-19(11-17)22-13-26-30-31-32-34(26)24-10-7-20(12-23(22)24)27(35)25-14-29-16-33(25)15-18-5-8-21(28)9-6-18/h2-13,15,17,28,35H,16H2,1H3;1-12,14,16,27,36H,15H2;2-14,16,27,35H,15H2,1H3.

What are the key properties of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile?

[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 1453.86 g/mol, XLogP of 15.09, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 157356368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).