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

C20H18Cl2N2O2 — CID 2920814

IUPACN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H18Cl2N2O2/c1-11(2)20(26)24-18(14-8-6-13(21)10-16(14)22)15-7-5-12-4-3-9-23-17(12)19(15)25/h3-11,18,25H,1-2H3,(H,24,26)
InChIKeyGUGJXJDURCSDQV-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.11
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide (PubChem CID 2920814) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
PubChem CID2920814
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H18Cl2N2O2/c1-11(2)20(26)24-18(14-8-6-13(21)10-16(14)22)15-7-5-12-4-3-9-23-17(12)19(15)25/h3-11,18,25H,1-2H3,(H,24,26)
InChIKeyGUGJXJDURCSDQV-UHFFFAOYSA-N
XLogP5.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.11
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]-2-methylpropanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide (CID 2920814) is N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The InChIKey is GUGJXJDURCSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-11(2)20(26)24-18(14-8-6-13(21)10-16(14)22)15-7-5-12-4-3-9-23-17(12)19(15)25/h3-11,18,25H,1-2H3,(H,24,26).
What are the key properties of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide has a molecular weight of 389.28 g/mol, XLogP of 5.11, 4 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]-2-methylpropanamide is sourced from PubChem (CID 2920814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).