2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide

C14H16N2O3 — CID 905543

IUPAC2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C)cc(=O)c2cccc(OC)c21
InChIInChI=1S/C14H16N2O3/c1-9-7-11(17)10-5-4-6-12(19-3)14(10)16(9)8-13(18)15-2/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyPPNTYGWYNOBZOK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.06
Rot. Bonds3

About 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide

2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide (PubChem CID 905543) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide
PubChem CID905543
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C)cc(=O)c2cccc(OC)c21
InChIInChI=1S/C14H16N2O3/c1-9-7-11(17)10-5-4-6-12(19-3)14(10)16(9)8-13(18)15-2/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyPPNTYGWYNOBZOK-UHFFFAOYSA-N
XLogP1.06
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide (CID 905543) is 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide is CNC(=O)Cn1c(C)cc(=O)c2cccc(OC)c21.
What is the InChIKey of 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide?
The InChIKey is PPNTYGWYNOBZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-7-11(17)10-5-4-6-12(19-3)14(10)16(9)8-13(18)15-2/h4-7H,8H2,1-3H3,(H,15,18).
What are the key properties of 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide?
2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide has a molecular weight of 260.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-methylacetamide is sourced from PubChem (CID 905543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).