7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one

C18H18N2O3 — CID 168510248

IUPAC7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one
SMILESCOc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(OC)n1
InChIInChI=1S/C18H18N2O3/c1-11-9-17(21)20(2)15-10-12(5-6-13(11)15)14-7-8-16(22-3)19-18(14)23-4/h5-10H,1-4H3
InChIKeyNFFBUIFLOKMWKQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.93
Rot. Bonds3

About 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one

7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one (PubChem CID 168510248) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one
PubChem CID168510248
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one
SMILESCOc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(OC)n1
InChIInChI=1S/C18H18N2O3/c1-11-9-17(21)20(2)15-10-12(5-6-13(11)15)14-7-8-16(22-3)19-18(14)23-4/h5-10H,1-4H3
InChIKeyNFFBUIFLOKMWKQ-UHFFFAOYSA-N
XLogP2.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one?
The IUPAC name of 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one (CID 168510248) is 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one?
The canonical SMILES for 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one is COc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(OC)n1.
What is the InChIKey of 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one?
The InChIKey is NFFBUIFLOKMWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-9-17(21)20(2)15-10-12(5-6-13(11)15)14-7-8-16(22-3)19-18(14)23-4/h5-10H,1-4H3.
What are the key properties of 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one?
7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethoxy-3-pyridinyl)-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 168510248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).