N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide

C16H19ClN2O2 — CID 3216868

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2cc(C)ccc2nc1Cl)C(C)=O
InChIInChI=1S/C16H19ClN2O2/c1-11-4-5-15-13(8-11)9-14(16(17)18-15)10-19(12(2)20)6-7-21-3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyLEXNAZOWNHATHR-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.19
Rot. Bonds5

About N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 3216868) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
PubChem CID3216868
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2cc(C)ccc2nc1Cl)C(C)=O
InChIInChI=1S/C16H19ClN2O2/c1-11-4-5-15-13(8-11)9-14(16(17)18-15)10-19(12(2)20)6-7-21-3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyLEXNAZOWNHATHR-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.19
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-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide (CID 3216868) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide is COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(C)=O.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is LEXNAZOWNHATHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-4-5-15-13(8-11)9-14(16(17)18-15)10-19(12(2)20)6-7-21-3/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 306.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3216868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).