2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide

C12H10Cl2N2O2 — CID 89139592

IUPAC2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
SMILESCOc1ccc2ncc(NC(=O)CCl)c(Cl)c2c1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-7-2-3-9-8(4-7)12(14)10(6-15-9)16-11(17)5-13/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyLXIDBWSCKYYQLW-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide

2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide (PubChem CID 89139592) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
PubChem CID89139592
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
SMILESCOc1ccc2ncc(NC(=O)CCl)c(Cl)c2c1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-7-2-3-9-8(4-7)12(14)10(6-15-9)16-11(17)5-13/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyLXIDBWSCKYYQLW-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.07
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

6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
CID 176655507
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556
4-chloro-6-methoxyquinoline-3-carbonitrile
CID 87839135
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
N-(1-chloro-6-methoxyisoquinolin-4-yl)benzamide
CID 86717709
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
CID 123395128
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 10071543
4-chloro-6-methoxycinnoline-3-carboxylic acid
CID 83898135
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475
methyl 4-chloro-2-ethylsulfanyl-6-methoxyquinoline-3-carboxylate
CID 162691895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide (CID 89139592) is 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide is COc1ccc2ncc(NC(=O)CCl)c(Cl)c2c1.
What is the InChIKey of 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide?
The InChIKey is LXIDBWSCKYYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-18-7-2-3-9-8(4-7)12(14)10(6-15-9)16-11(17)5-13/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide?
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide has a molecular weight of 285.13 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide is sourced from PubChem (CID 89139592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).