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

C18H18N2O2 — CID 168679655

IUPAC7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one
SMILESCOc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(C)n1
InChIInChI=1S/C18H18N2O2/c1-11-9-18(21)20(3)16-10-13(5-6-14(11)16)15-7-8-17(22-4)19-12(15)2/h5-10H,1-4H3
InChIKeyNIKNWIMZQISDHR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.23
Rot. Bonds2

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

7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one (PubChem CID 168679655) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one
PubChem CID168679655
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one
SMILESCOc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(C)n1
InChIInChI=1S/C18H18N2O2/c1-11-9-18(21)20(3)16-10-13(5-6-14(11)16)15-7-8-17(22-4)19-12(15)2/h5-10H,1-4H3
InChIKeyNIKNWIMZQISDHR-UHFFFAOYSA-N
XLogP3.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one?
The IUPAC name of 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one (CID 168679655) is 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one?
The canonical SMILES for 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one is COc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(C)n1.
What is the InChIKey of 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one?
The InChIKey is NIKNWIMZQISDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-9-18(21)20(3)16-10-13(5-6-14(11)16)15-7-8-17(22-4)19-12(15)2/h5-10H,1-4H3.
What are the key properties of 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one?
7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-2-methyl-3-pyridinyl)-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 168679655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).