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

C27H19Cl2N7O2 — CID 23388970

IUPAC5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(N)=O)c1nnnn12
InChIInChI=1S/C27H19Cl2N7O2/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/h2-14,38H,1H3,(H2,30,37)
InChIKeyBNKDOVMNTZMZAH-UHFFFAOYSA-N
MW544.40 g/mol
LogP4.37
Rot. Bonds5

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

5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide (PubChem CID 23388970) has the molecular formula C27H19Cl2N7O2 and a molecular weight of 544.40 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide
PubChem CID23388970
Molecular FormulaC27H19Cl2N7O2
Molecular Weight544.40 g/mol
Exact Mass543.10
IUPAC Name5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(N)=O)c1nnnn12
InChIInChI=1S/C27H19Cl2N7O2/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/h2-14,38H,1H3,(H2,30,37)
InChIKeyBNKDOVMNTZMZAH-UHFFFAOYSA-N
XLogP4.37
TPSA124.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-6-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)quinolin-2-ol
CID 86715667
(2-Chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 23388924
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388926
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388927
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388928
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388987
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388988
N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-2-(2,6-difluorophenyl)acetamide
CID 23577797
N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]-3-fluorobenzamide
CID 23577806
[5-[2-(3-Chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 58722272
(4-Chlorophenyl)-[5-[2-(3-fluorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 58722276

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide (CID 23388970) is 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(C(N)=O)c1nnnn12.
What is the InChIKey of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide?
The InChIKey is BNKDOVMNTZMZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N7O2/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/h2-14,38H,1H3,(H2,30,37).
What are the key properties of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide?
5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide has a molecular weight of 544.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline-4-carboxamide is sourced from PubChem (CID 23388970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).