2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide

C19H17ClN2O2 — CID 1383269

IUPAC2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
SMILESCc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)CCl)c1
InChIInChI=1S/C19H17ClN2O2/c1-13-5-4-6-15(9-13)22(19(24)11-20)12-14-10-18(23)21-17-8-3-2-7-16(14)17/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyOHJAABPTLPKFBQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide

2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide (PubChem CID 1383269) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
PubChem CID1383269
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
SMILESCc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)CCl)c1
InChIInChI=1S/C19H17ClN2O2/c1-13-5-4-6-15(9-13)22(19(24)11-20)12-14-10-18(23)21-17-8-3-2-7-16(14)17/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyOHJAABPTLPKFBQ-UHFFFAOYSA-N
XLogP3.61
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]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-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide (CID 1383269) is 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide is Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
The InChIKey is OHJAABPTLPKFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-5-4-6-15(9-13)22(19(24)11-20)12-14-10-18(23)21-17-8-3-2-7-16(14)17/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 1383269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).