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

C26H19Cl2N7 — CID 69359188

IUPAC5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine
SMILESCn1cncc1C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(N)c1nnnn12
InChIInChI=1S/C26H19Cl2N7/c1-34-14-30-13-22(34)23(15-5-8-18(27)9-6-15)17-7-10-21-20(12-17)24(16-3-2-4-19(28)11-16)25(29)26-31-32-33-35(21)26/h2-14,23H,29H2,1H3
InChIKeyZOORZNNPFXHIKX-UHFFFAOYSA-N
MW500.39 g/mol
LogP5.75
Rot. Bonds4

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

5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine (PubChem CID 69359188) has the molecular formula C26H19Cl2N7 and a molecular weight of 500.39 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine
PubChem CID69359188
Molecular FormulaC26H19Cl2N7
Molecular Weight500.39 g/mol
Exact Mass499.11
IUPAC Name5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine
SMILESCn1cncc1C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(N)c1nnnn12
InChIInChI=1S/C26H19Cl2N7/c1-34-14-30-13-22(34)23(15-5-8-18(27)9-6-15)17-7-10-21-20(12-17)24(16-3-2-4-19(28)11-16)25(29)26-31-32-33-35(21)26/h2-14,23H,29H2,1H3
InChIKeyZOORZNNPFXHIKX-UHFFFAOYSA-N
XLogP5.75
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.39
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine (CID 69359188) is 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine is Cn1cncc1C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(N)c1nnnn12.
What is the InChIKey of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine?
The InChIKey is ZOORZNNPFXHIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N7/c1-34-14-30-13-22(34)23(15-5-8-18(27)9-6-15)17-7-10-21-20(12-17)24(16-3-2-4-19(28)11-16)25(29)26-31-32-33-35(21)26/h2-14,23H,29H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine?
5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine has a molecular weight of 500.39 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine is sourced from PubChem (CID 69359188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).