(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine

C33H24Cl2N6 — CID 23388932

IUPAC(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12
InChIInChI=1S/C33H24Cl2N6/c1-40-20-37-19-30(40)33(36,23-10-13-25(34)14-11-23)24-12-15-29-28(17-24)27(22-8-5-9-26(35)16-22)18-31-38-39-32(41(29)31)21-6-3-2-4-7-21/h2-20H,36H2,1H3
InChIKeyZGWTZTNRPVIWNM-UHFFFAOYSA-N
MW575.50 g/mol
LogP7.51
Rot. Bonds5

About (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine

(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine (PubChem CID 23388932) has the molecular formula C33H24Cl2N6 and a molecular weight of 575.50 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
PubChem CID23388932
Molecular FormulaC33H24Cl2N6
Molecular Weight575.50 g/mol
Exact Mass574.14
IUPAC Name(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12
InChIInChI=1S/C33H24Cl2N6/c1-40-20-37-19-30(40)33(36,23-10-13-25(34)14-11-23)24-12-15-29-28(17-24)27(22-8-5-9-26(35)16-22)18-31-38-39-32(41(29)31)21-6-3-2-4-7-21/h2-20H,36H2,1H3
InChIKeyZGWTZTNRPVIWNM-UHFFFAOYSA-N
XLogP7.51
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.50
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine (CID 23388932) is (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine is Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12.
What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The InChIKey is ZGWTZTNRPVIWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Cl2N6/c1-40-20-37-19-30(40)33(36,23-10-13-25(34)14-11-23)24-12-15-29-28(17-24)27(22-8-5-9-26(35)16-22)18-31-38-39-32(41(29)31)21-6-3-2-4-7-21/h2-20H,36H2,1H3.
What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
(4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine has a molecular weight of 575.50 g/mol, XLogP of 7.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 23388932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).