6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one

C16H16N2O2 — CID 25180503

IUPAC6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3
InChIKeyHVELTVXSVCFFQC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds2

About 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 25180503) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID25180503
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3
InChIKeyHVELTVXSVCFFQC-UHFFFAOYSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 25180503) is 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one is COc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is HVELTVXSVCFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 25180503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).