N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide

C14H16N2O2 — CID 10399579

IUPACN-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide
SMILESCOc1ccc2nccc(CCNC(C)=O)c2c1
InChIInChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)
InChIKeyXFMITTLNJFUKHR-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds4

About N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide

N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide (PubChem CID 10399579) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide
PubChem CID10399579
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide
SMILESCOc1ccc2nccc(CCNC(C)=O)c2c1
InChIInChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)
InChIKeyXFMITTLNJFUKHR-UHFFFAOYSA-N
XLogP1.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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CID 50878551

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide (CID 10399579) is N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide is COc1ccc2nccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide?
The InChIKey is XFMITTLNJFUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide?
N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxyquinolin-4-yl)ethyl]acetamide is sourced from PubChem (CID 10399579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).