5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine

C27H21Cl2N7 — CID 23388990

IUPAC5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine
SMILESCNc1ncc(C(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nnnn23)n1C
InChIInChI=1S/C27H21Cl2N7/c1-30-27-31-15-24(35(27)2)26(16-6-9-19(28)10-7-16)18-8-11-23-22(13-18)21(14-25-32-33-34-36(23)25)17-4-3-5-20(29)12-17/h3-15,26H,1-2H3,(H,30,31)
InChIKeyVASWPGCFWLMXED-UHFFFAOYSA-N
MW514.42 g/mol
LogP6.21
Rot. Bonds5

About 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine

5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine (PubChem CID 23388990) has the molecular formula C27H21Cl2N7 and a molecular weight of 514.42 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine
PubChem CID23388990
Molecular FormulaC27H21Cl2N7
Molecular Weight514.42 g/mol
Exact Mass513.12
IUPAC Name5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine
SMILESCNc1ncc(C(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nnnn23)n1C
InChIInChI=1S/C27H21Cl2N7/c1-30-27-31-15-24(35(27)2)26(16-6-9-19(28)10-7-16)18-8-11-23-22(13-18)21(14-25-32-33-34-36(23)25)17-4-3-5-20(29)12-17/h3-15,26H,1-2H3,(H,30,31)
InChIKeyVASWPGCFWLMXED-UHFFFAOYSA-N
XLogP6.21
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.42
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine
CID 69359188
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 23388873
N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide
CID 23388870
5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 21082061
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
CID 10300971
1-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]-3-(1-naphthalen-1-ylethyl)urea
CID 23388883
N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide
CID 23388904
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide
CID 10119123
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide
CID 23577744
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 23577736
7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)imidazo[1,2-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 158101460
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine?
The IUPAC name of 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine (CID 23388990) is 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine is CNc1ncc(C(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nnnn23)n1C.
What is the InChIKey of 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine?
The InChIKey is VASWPGCFWLMXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2N7/c1-30-27-31-15-24(35(27)2)26(16-6-9-19(28)10-7-16)18-8-11-23-22(13-18)21(14-25-32-33-34-36(23)25)17-4-3-5-20(29)12-17/h3-15,26H,1-2H3,(H,30,31).
What are the key properties of 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine?
5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine has a molecular weight of 514.42 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine is sourced from PubChem (CID 23388990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).