7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol

C24H20Cl2N2O — CID 135353946

IUPAC7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol
SMILESOc1c(C(NCCc2ccccc2)c2ccc(Cl)cc2Cl)ccc2cccnc12
InChIInChI=1S/C24H20Cl2N2O/c25-18-9-11-19(21(26)15-18)23(28-14-12-16-5-2-1-3-6-16)20-10-8-17-7-4-13-27-22(17)24(20)29/h1-11,13,15,23,28-29H,12,14H2
InChIKeyTYRNPCNGCHBNAF-UHFFFAOYSA-N
MW423.34 g/mol
LogP6.17
Rot. Bonds6

About 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol

7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol (PubChem CID 135353946) has the molecular formula C24H20Cl2N2O and a molecular weight of 423.34 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol
PubChem CID135353946
Molecular FormulaC24H20Cl2N2O
Molecular Weight423.34 g/mol
Exact Mass422.10
IUPAC Name7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol
SMILESOc1c(C(NCCc2ccccc2)c2ccc(Cl)cc2Cl)ccc2cccnc12
InChIInChI=1S/C24H20Cl2N2O/c25-18-9-11-19(21(26)15-18)23(28-14-12-16-5-2-1-3-6-16)20-10-8-17-7-4-13-27-22(17)24(20)29/h1-11,13,15,23,28-29H,12,14H2
InChIKeyTYRNPCNGCHBNAF-UHFFFAOYSA-N
XLogP6.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol (CID 135353946) is 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol is Oc1c(C(NCCc2ccccc2)c2ccc(Cl)cc2Cl)ccc2cccnc12.
What is the InChIKey of 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol?
The InChIKey is TYRNPCNGCHBNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O/c25-18-9-11-19(21(26)15-18)23(28-14-12-16-5-2-1-3-6-16)20-10-8-17-7-4-13-27-22(17)24(20)29/h1-11,13,15,23,28-29H,12,14H2.
What are the key properties of 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol?
7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol has a molecular weight of 423.34 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 135353946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).