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

C18H14Cl2N2O2 — CID 3136121

IUPACN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C18H14Cl2N2O2/c1-10(23)22-17(13-7-5-12(19)9-15(13)20)14-6-4-11-3-2-8-21-16(11)18(14)24/h2-9,17,24H,1H3,(H,22,23)
InChIKeyIQDLCSKSBHSKHI-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.47
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide (PubChem CID 3136121) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
PubChem CID3136121
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC NameN-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C18H14Cl2N2O2/c1-10(23)22-17(13-7-5-12(19)9-15(13)20)14-6-4-11-3-2-8-21-16(11)18(14)24/h2-9,17,24H,1H3,(H,22,23)
InChIKeyIQDLCSKSBHSKHI-UHFFFAOYSA-N
XLogP4.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.47
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]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide (CID 3136121) is N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide is CC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
The InChIKey is IQDLCSKSBHSKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10(23)22-17(13-7-5-12(19)9-15(13)20)14-6-4-11-3-2-8-21-16(11)18(14)24/h2-9,17,24H,1H3,(H,22,23).
What are the key properties of N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide?
N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide has a molecular weight of 361.23 g/mol, XLogP of 4.47, 3 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]acetamide is sourced from PubChem (CID 3136121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).