[4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine

C132H92BrCl9F2N32O5 — CID 159368793

IUPAC[4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(Cl)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(N)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(Br)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(N)=O)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(CO)c1nnnn12
InChIInChI=1S/C27H19Cl2N7O2.C27H20Cl2N6O2.C26H17BrCl2N6O.C26H17Cl2FN6.C26H19ClFN7/c1-35-14-31-13-22(35)27(38,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(25(30)37)26-32-33-34-36(21)26;1-34-15-30-13-24(34)27(37,17-5-8-19(28)9-6-17)18-7-10-23-21(12-18)25(16-3-2-4-20(29)11-16)22(14-36)26-31-32-33-35(23)26;1-34-14-30-13-22(34)26(36,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(27)25-31-32-33-35(21)25;1-34-15-30-14-24(34)26(28,17-5-8-20(29)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-19(27)11-16;1-34-15-30-14-24(34)26(29,17-5-8-20(28)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-19(27)11-16/h2-14,38H,1H3,(H2,30,37);2-13,15,36-37H,14H2,1H3;2-14,36H,1H3;2-15H,1H3;2-15H,29H2,1H3
InChIKeyLJLWDWPQSBGGKV-UHFFFAOYSA-N
MW2643.38 g/mol
LogP25.88
Rot. Bonds22

About [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine

[4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine (PubChem CID 159368793) has the molecular formula C132H92BrCl9F2N32O5 and a molecular weight of 2643.38 g/mol. Its IUPAC name is [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name[4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine
PubChem CID159368793
Molecular FormulaC132H92BrCl9F2N32O5
Molecular Weight2643.38 g/mol
Exact Mass2636.43
IUPAC Name[4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(Cl)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(N)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(Br)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(N)=O)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(CO)c1nnnn12
InChIInChI=1S/C27H19Cl2N7O2.C27H20Cl2N6O2.C26H17BrCl2N6O.C26H17Cl2FN6.C26H19ClFN7/c1-35-14-31-13-22(35)27(38,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(25(30)37)26-32-33-34-36(21)26;1-34-15-30-13-24(34)27(37,17-5-8-19(28)9-6-17)18-7-10-23-21(12-18)25(16-3-2-4-20(29)11-16)22(14-36)26-31-32-33-35(23)26;1-34-14-30-13-22(34)26(36,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(27)25-31-32-33-35(21)25;1-34-15-30-14-24(34)26(28,17-5-8-20(29)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-19(27)11-16;1-34-15-30-14-24(34)26(29,17-5-8-20(28)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-19(27)11-16/h2-14,38H,1H3,(H2,30,37);2-13,15,36-37H,14H2,1H3;2-14,36H,1H3;2-15H,1H3;2-15H,29H2,1H3
InChIKeyLJLWDWPQSBGGKV-UHFFFAOYSA-N
XLogP25.88
TPSA454.53 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002643.38
LogP ≤ 525.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine (CID 159368793) is [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine is Cn1cncc1C(Cl)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(N)(c1ccc(F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(Br)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(N)=O)c1nnnn12.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(CO)c1nnnn12.
What is the InChIKey of [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine?
The InChIKey is LJLWDWPQSBGGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N7O2.C27H20Cl2N6O2.C26H17BrCl2N6O.C26H17Cl2FN6.C26H19ClFN7/c1-35-14-31-13-22(35)27(38,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(25(30)37)26-32-33-34-36(21)26;1-34-15-30-13-24(34)27(37,17-5-8-19(28)9-6-17)18-7-10-23-21(12-18)25(16-3-2-4-20(29)11-16)22(14-36)26-31-32-33-35(23)26;1-34-14-30-13-22(34)26(36,16-5-8-18(28)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(29)11-15)24(27)25-31-32-33-35(21)25;1-34-15-30-14-24(34)26(28,17-5-8-20(29)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-19(27)11-16;1-34-15-30-14-24(34)26(29,17-5-8-20(28)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-19(27)11-16/h2-14,38H,1H3,(H2,30,37);2-13,15,36-37H,14H2,1H3;2-14,36H,1H3;2-15H,1H3;2-15H,29H2,1H3.
What are the key properties of [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine?
[4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine has a molecular weight of 2643.38 g/mol, XLogP of 25.88, 22 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;7-[chloro-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 159368793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).