2-chloro-N-(2-methylquinolin-6-yl)acetamide

C12H11ClN2O — CID 71453385

IUPAC2-chloro-N-(2-methylquinolin-6-yl)acetamide
SMILESCc1ccc2cc(NC(=O)CCl)ccc2n1
InChIInChI=1S/C12H11ClN2O/c1-8-2-3-9-6-10(15-12(16)7-13)4-5-11(9)14-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyMEPWQRCBEMMGDQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-N-(2-methylquinolin-6-yl)acetamide

2-chloro-N-(2-methylquinolin-6-yl)acetamide (PubChem CID 71453385) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-N-(2-methylquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylquinolin-6-yl)acetamide
PubChem CID71453385
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-N-(2-methylquinolin-6-yl)acetamide
SMILESCc1ccc2cc(NC(=O)CCl)ccc2n1
InChIInChI=1S/C12H11ClN2O/c1-8-2-3-9-6-10(15-12(16)7-13)4-5-11(9)14-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyMEPWQRCBEMMGDQ-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylquinolin-6-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-methylquinolin-6-yl)acetamide (CID 71453385) is 2-chloro-N-(2-methylquinolin-6-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methylquinolin-6-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methylquinolin-6-yl)acetamide is Cc1ccc2cc(NC(=O)CCl)ccc2n1.
What is the InChIKey of 2-chloro-N-(2-methylquinolin-6-yl)acetamide?
The InChIKey is MEPWQRCBEMMGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-2-3-9-6-10(15-12(16)7-13)4-5-11(9)14-8/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-methylquinolin-6-yl)acetamide?
2-chloro-N-(2-methylquinolin-6-yl)acetamide has a molecular weight of 234.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylquinolin-6-yl)acetamide is sourced from PubChem (CID 71453385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).