[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone

C52H34Cl4N12O2 — CID 158984992

IUPAC[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone
SMILESO=C(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1.OC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H18Cl2N6O.C26H16Cl2N6O/c2*27-19-7-4-16(5-8-19)14-33-15-29-13-24(33)26(35)18-6-9-23-22(11-18)21(12-25-30-31-32-34(23)25)17-2-1-3-20(28)10-17/h1-13,15,26,35H,14H2;1-13,15H,14H2
InChIKeyJPLRQDOHAZDVBO-UHFFFAOYSA-N
MW1000.74 g/mol
LogP11.30
Rot. Bonds10

About [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone

[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone (PubChem CID 158984992) has the molecular formula C52H34Cl4N12O2 and a molecular weight of 1000.74 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone
PubChem CID158984992
Molecular FormulaC52H34Cl4N12O2
Molecular Weight1000.74 g/mol
Exact Mass998.17
IUPAC Name[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone
SMILESO=C(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1.OC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H18Cl2N6O.C26H16Cl2N6O/c2*27-19-7-4-16(5-8-19)14-33-15-29-13-24(33)26(35)18-6-9-23-22(11-18)21(12-25-30-31-32-34(23)25)17-2-1-3-20(28)10-17/h1-13,15,26,35H,14H2;1-13,15H,14H2
InChIKeyJPLRQDOHAZDVBO-UHFFFAOYSA-N
XLogP11.30
TPSA159.10 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001000.74
LogP ≤ 511.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone with MolForge

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Related Compounds

[3-[(4-Chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 16723918
(Rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-yl-ethanol (6-chloro-imidazo[1,2-b]pyridazin-3-yl)-quinolin-6-yl-methanone
CID 131731817
Ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
CID 23388900
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide
CID 23388970
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylate
CID 23388971
5-(3-Chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid
CID 23388972
(Rac)-1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methyl-1h-indazol-5-yl)-ethanol (6-chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1h-indazol-5-yl)-methanone
CID 131731819
(6-Chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1H-indazol-5-yl)-methanone (rac)-(6-Chloro-imidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methyl-1H-indazol-5-yl)-methanol
CID 131731820
[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
[3-[(4-Chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;4-[[5-[[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 157654895
(4-Chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-imidazol-1-ylmethyl]imidazo[1,2-a]quinoline;7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1,5-diphenyl-[1,2,4]triazolo[4,3-a]quinoline;(4-chlorophenyl)-(3-methylimidazol-4-yl)-(5-phenylimidazo[1,2-a]quinolin-7-yl)methanol
CID 157698716
(6-Chloroimidazo[1,2-b]pyridazin-3-yl)-deuterio-quinolin-6-ylmethanol;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone
CID 157772455

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone?
The IUPAC name of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone (CID 158984992) is [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone?
The canonical SMILES for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone is O=C(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1.OC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone?
The InChIKey is JPLRQDOHAZDVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N6O.C26H16Cl2N6O/c2*27-19-7-4-16(5-8-19)14-33-15-29-13-24(33)26(35)18-6-9-23-22(11-18)21(12-25-30-31-32-34(23)25)17-2-1-3-20(28)10-17/h1-13,15,26,35H,14H2;1-13,15H,14H2.
What are the key properties of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone?
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone has a molecular weight of 1000.74 g/mol, XLogP of 11.30, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol;[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanone is sourced from PubChem (CID 158984992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).