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

C21H20Cl2N2O2 — CID 2922048

IUPACN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
InChIKeyRBZNNYFJAHVKOM-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.64
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide (PubChem CID 2922048) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
PubChem CID2922048
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)
InChIKeyRBZNNYFJAHVKOM-UHFFFAOYSA-N
XLogP5.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.64
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]pentanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide (CID 2922048) is N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide is CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The InChIKey is RBZNNYFJAHVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26).
What are the key properties of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide has a molecular weight of 403.31 g/mol, XLogP of 5.64, 6 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]pentanamide is sourced from PubChem (CID 2922048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).