2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide

C12H11ClN2O2 — CID 14627530

IUPAC2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCc1cccc2cc(NC(=O)CCl)c(=O)[nH]c12
InChIInChI=1S/C12H11ClN2O2/c1-7-3-2-4-8-5-9(14-10(16)6-13)12(17)15-11(7)8/h2-5H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyUOCOTHFXZFNVKQ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide

2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 14627530) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID14627530
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCc1cccc2cc(NC(=O)CCl)c(=O)[nH]c12
InChIInChI=1S/C12H11ClN2O2/c1-7-3-2-4-8-5-9(14-10(16)6-13)12(17)15-11(7)8/h2-5H,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyUOCOTHFXZFNVKQ-UHFFFAOYSA-N
XLogP2.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
CID 14627531
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331152
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium
CID 2066167
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide (CID 14627530) is 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide is Cc1cccc2cc(NC(=O)CCl)c(=O)[nH]c12.
What is the InChIKey of 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is UOCOTHFXZFNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-3-2-4-8-5-9(14-10(16)6-13)12(17)15-11(7)8/h2-5H,6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide?
2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 250.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 14627530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).