2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide

C13H13ClN2O2 — CID 166432074

IUPAC2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide
SMILESCc1cc(=O)n(C)c2ccc(NC(=O)CCl)cc12
InChIInChI=1S/C13H13ClN2O2/c1-8-5-13(18)16(2)11-4-3-9(6-10(8)11)15-12(17)7-14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyXUBFJPNZEUZTJB-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide

2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide (PubChem CID 166432074) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide
PubChem CID166432074
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide
SMILESCc1cc(=O)n(C)c2ccc(NC(=O)CCl)cc12
InChIInChI=1S/C13H13ClN2O2/c1-8-5-13(18)16(2)11-4-3-9(6-10(8)11)15-12(17)7-14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyXUBFJPNZEUZTJB-UHFFFAOYSA-N
XLogP2.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
CID 166414870
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 46980764
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
4-cyano-N-(1,4-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933137
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
CID 166404074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide (CID 166432074) is 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide is Cc1cc(=O)n(C)c2ccc(NC(=O)CCl)cc12.
What is the InChIKey of 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide?
The InChIKey is XUBFJPNZEUZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-5-13(18)16(2)11-4-3-9(6-10(8)11)15-12(17)7-14/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide?
2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide has a molecular weight of 264.71 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,4-dimethyl-2-oxoquinolin-6-yl)acetamide is sourced from PubChem (CID 166432074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).