5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol

C25H15Cl3N2O2 — CID 3548513

IUPAC5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc(Cl)c2cccnc12
InChIInChI=1S/C25H15Cl3N2O2/c26-14-7-5-13(6-8-14)21(17-11-19(27)15-3-1-9-29-22(15)24(17)31)18-12-20(28)16-4-2-10-30-23(16)25(18)32/h1-12,21,31-32H
InChIKeyOFMDXLRRSCLPJE-UHFFFAOYSA-N
MW481.77 g/mol
LogP7.33
Rot. Bonds3

About 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol

5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol (PubChem CID 3548513) has the molecular formula C25H15Cl3N2O2 and a molecular weight of 481.77 g/mol. Its IUPAC name is 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol
PubChem CID3548513
Molecular FormulaC25H15Cl3N2O2
Molecular Weight481.77 g/mol
Exact Mass480.02
IUPAC Name5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc(Cl)c2cccnc12
InChIInChI=1S/C25H15Cl3N2O2/c26-14-7-5-13(6-8-14)21(17-11-19(27)15-3-1-9-29-22(15)24(17)31)18-12-20(28)16-4-2-10-30-23(16)25(18)32/h1-12,21,31-32H
InChIKeyOFMDXLRRSCLPJE-UHFFFAOYSA-N
XLogP7.33
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol (CID 3548513) is 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol is Oc1c(C(c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol?
The InChIKey is OFMDXLRRSCLPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl3N2O2/c26-14-7-5-13(6-8-14)21(17-11-19(27)15-3-1-9-29-22(15)24(17)31)18-12-20(28)16-4-2-10-30-23(16)25(18)32/h1-12,21,31-32H.
What are the key properties of 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol?
5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol has a molecular weight of 481.77 g/mol, XLogP of 7.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 3548513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).