6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one

C17H17FN2O2 — CID 123168455

IUPAC6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCOc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C17H17FN2O2/c1-3-22-13-6-12(9-19-10-13)14-7-11-4-5-17(21)20(2)16(11)8-15(14)18/h6-10H,3-5H2,1-2H3
InChIKeyZNTQJRVXASDZHO-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.20
Rot. Bonds3

About 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one

6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 123168455) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID123168455
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCOc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C17H17FN2O2/c1-3-22-13-6-12(9-19-10-13)14-7-11-4-5-17(21)20(2)16(11)8-15(14)18/h6-10H,3-5H2,1-2H3
InChIKeyZNTQJRVXASDZHO-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one (CID 123168455) is 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one is CCOc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1.
What is the InChIKey of 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZNTQJRVXASDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-3-22-13-6-12(9-19-10-13)14-7-11-4-5-17(21)20(2)16(11)8-15(14)18/h6-10H,3-5H2,1-2H3.
What are the key properties of 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 300.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethoxy-3-pyridinyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 123168455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).