N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide

C17H21ClN2O2 — CID 3216908

IUPACN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(C)=O
InChIInChI=1S/C17H21ClN2O2/c1-11-7-12(2)15-9-14(17(18)19-16(15)8-11)10-20(13(3)21)5-6-22-4/h7-9H,5-6,10H2,1-4H3
InChIKeyRXDFIPDEOUPQQD-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.50
Rot. Bonds5

About N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide

N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 3216908) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
PubChem CID3216908
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(C)=O
InChIInChI=1S/C17H21ClN2O2/c1-11-7-12(2)15-9-14(17(18)19-16(15)8-11)10-20(13(3)21)5-6-22-4/h7-9H,5-6,10H2,1-4H3
InChIKeyRXDFIPDEOUPQQD-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide (CID 3216908) is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide is COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(C)=O.
What is the InChIKey of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is RXDFIPDEOUPQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-11-7-12(2)15-9-14(17(18)19-16(15)8-11)10-20(13(3)21)5-6-22-4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 320.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3216908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).