5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline

C29H20Cl2N8 — CID 10231025

IUPAC5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline
SMILESCn1cncc1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)n1ccnc1-c1ccccc1Cl
InChIInChI=1S/C29H20Cl2N8/c1-37-17-32-16-26(37)28(38-12-11-33-29(38)21-7-2-3-8-24(21)31)19-9-10-25-23(14-19)22(15-27-34-35-36-39(25)27)18-5-4-6-20(30)13-18/h2-17,28H,1H3
InChIKeyCMVZCSQUAYMCIQ-UHFFFAOYSA-N
MW551.44 g/mol
LogP6.49
Rot. Bonds5

About 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline

5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline (PubChem CID 10231025) has the molecular formula C29H20Cl2N8 and a molecular weight of 551.44 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline
PubChem CID10231025
Molecular FormulaC29H20Cl2N8
Molecular Weight551.44 g/mol
Exact Mass550.12
IUPAC Name5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline
SMILESCn1cncc1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)n1ccnc1-c1ccccc1Cl
InChIInChI=1S/C29H20Cl2N8/c1-37-17-32-16-26(37)28(38-12-11-33-29(38)21-7-2-3-8-24(21)31)19-9-10-25-23(14-19)22(15-27-34-35-36-39(25)27)18-5-4-6-20(30)13-18/h2-17,28H,1H3
InChIKeyCMVZCSQUAYMCIQ-UHFFFAOYSA-N
XLogP6.49
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.44
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline?
The IUPAC name of 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline (CID 10231025) is 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline?
The canonical SMILES for 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline is Cn1cncc1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)n1ccnc1-c1ccccc1Cl.
What is the InChIKey of 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline?
The InChIKey is CMVZCSQUAYMCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N8/c1-37-17-32-16-26(37)28(38-12-11-33-29(38)21-7-2-3-8-24(21)31)19-9-10-25-23(14-19)22(15-27-34-35-36-39(25)27)18-5-4-6-20(30)13-18/h2-17,28H,1H3.
What are the key properties of 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline?
5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline has a molecular weight of 551.44 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7-[[2-(2-chlorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline is sourced from PubChem (CID 10231025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).