1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C21H19N3O2 — CID 86297103

IUPAC1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(Cn4ccccc4=O)c3)ccc21
InChIInChI=1S/C21H19N3O2/c1-23-19-7-5-16(11-17(19)6-8-20(23)25)18-10-15(12-22-13-18)14-24-9-3-2-4-21(24)26/h2-5,7,9-13H,6,8,14H2,1H3
InChIKeyFSDPSYQCQOSHOQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.87
Rot. Bonds3

About 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 86297103) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID86297103
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(Cn4ccccc4=O)c3)ccc21
InChIInChI=1S/C21H19N3O2/c1-23-19-7-5-16(11-17(19)6-8-20(23)25)18-10-15(12-22-13-18)14-24-9-3-2-4-21(24)26/h2-5,7,9-13H,6,8,14H2,1H3
InChIKeyFSDPSYQCQOSHOQ-UHFFFAOYSA-N
XLogP2.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 86297103) is 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cncc(Cn4ccccc4=O)c3)ccc21.
What is the InChIKey of 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is FSDPSYQCQOSHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-23-19-7-5-16(11-17(19)6-8-20(23)25)18-10-15(12-22-13-18)14-24-9-3-2-4-21(24)26/h2-5,7,9-13H,6,8,14H2,1H3.
What are the key properties of 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 345.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86297103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).