2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide

C21H23ClN2O2 — CID 166418649

IUPAC2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(Cc1ccc2c(c1)CCC(=O)N2C)C(=O)CCl
InChIInChI=1S/C21H23ClN2O2/c1-15(17-6-4-3-5-7-17)24(21(26)13-22)14-16-8-10-19-18(12-16)9-11-20(25)23(19)2/h3-8,10,12,15H,9,11,13-14H2,1-2H3
InChIKeyXBRUUJUODAMQNT-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.92
Rot. Bonds5

About 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide

2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide (PubChem CID 166418649) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide
PubChem CID166418649
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(Cc1ccc2c(c1)CCC(=O)N2C)C(=O)CCl
InChIInChI=1S/C21H23ClN2O2/c1-15(17-6-4-3-5-7-17)24(21(26)13-22)14-16-8-10-19-18(12-16)9-11-20(25)23(19)2/h3-8,10,12,15H,9,11,13-14H2,1-2H3
InChIKeyXBRUUJUODAMQNT-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide (CID 166418649) is 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(Cc1ccc2c(c1)CCC(=O)N2C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide?
The InChIKey is XBRUUJUODAMQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15(17-6-4-3-5-7-17)24(21(26)13-22)14-16-8-10-19-18(12-16)9-11-20(25)23(19)2/h3-8,10,12,15H,9,11,13-14H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide?
2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide has a molecular weight of 370.88 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 166418649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).