1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one

C16H16N2O — CID 25180110

IUPAC1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C16H16N2O/c1-2-18-15-7-5-12(14-4-3-9-17-11-14)10-13(15)6-8-16(18)19/h3-5,7,9-11H,2,6,8H2,1H3
InChIKeyJHQOUGAVAKNADW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.05
Rot. Bonds2

About 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one

1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one (PubChem CID 25180110) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
PubChem CID25180110
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C16H16N2O/c1-2-18-15-7-5-12(14-4-3-9-17-11-14)10-13(15)6-8-16(18)19/h3-5,7,9-11H,2,6,8H2,1H3
InChIKeyJHQOUGAVAKNADW-UHFFFAOYSA-N
XLogP3.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one (CID 25180110) is 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(-c3cccnc3)ccc21.
What is the InChIKey of 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
The InChIKey is JHQOUGAVAKNADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-18-15-7-5-12(14-4-3-9-17-11-14)10-13(15)6-8-16(18)19/h3-5,7,9-11H,2,6,8H2,1H3.
What are the key properties of 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 25180110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).