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

C22H23ClN2O2 — CID 1459837

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
SMILESCOCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C22H23ClN2O2/c1-16-8-9-20-18(12-16)13-19(22(23)24-20)14-25(21(26)15-27-2)11-10-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14-15H2,1-2H3
InChIKeyMPKKHSNULQENNB-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.41
Rot. Bonds7

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

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide (PubChem CID 1459837) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
PubChem CID1459837
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
SMILESCOCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C22H23ClN2O2/c1-16-8-9-20-18(12-16)13-19(22(23)24-20)14-25(21(26)15-27-2)11-10-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14-15H2,1-2H3
InChIKeyMPKKHSNULQENNB-UHFFFAOYSA-N
XLogP4.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.41
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]-2-methoxy-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide (CID 1459837) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide is COCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2nc1Cl.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide?
The InChIKey is MPKKHSNULQENNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-16-8-9-20-18(12-16)13-19(22(23)24-20)14-25(21(26)15-27-2)11-10-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14-15H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide has a molecular weight of 382.89 g/mol, XLogP of 4.41, 7 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]-2-methoxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1459837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).