N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide

C20H18Cl2N2O2 — CID 2921215

IUPACN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
InChIKeyVUZPLTKIMHSUFJ-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.25
Rot. Bonds5

About N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide

N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide (PubChem CID 2921215) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
PubChem CID2921215
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
InChIKeyVUZPLTKIMHSUFJ-UHFFFAOYSA-N
XLogP5.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.25
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 N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide (CID 2921215) is N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide is CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The InChIKey is VUZPLTKIMHSUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25).
What are the key properties of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide?
N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide has a molecular weight of 389.28 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide is sourced from PubChem (CID 2921215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).