1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione

C16H16N2O2 — CID 81108462

IUPAC1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCc1cccnc1
InChIInChI=1S/C16H16N2O2/c19-15-5-1-4-14-13(15)6-7-16(20)18(14)10-8-12-3-2-9-17-11-12/h2-3,6-7,9,11H,1,4-5,8,10H2
InChIKeyPSNVYJROMXOZBD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds3

About 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81108462) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81108462
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCc1cccnc1
InChIInChI=1S/C16H16N2O2/c19-15-5-1-4-14-13(15)6-7-16(20)18(14)10-8-12-3-2-9-17-11-12/h2-3,6-7,9,11H,1,4-5,8,10H2
InChIKeyPSNVYJROMXOZBD-UHFFFAOYSA-N
XLogP2.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 103072812
1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108600
1-but-3-ynyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 81107885
1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108922
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109273
1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 115982088
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108927
methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
CID 81107719
1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109153
1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109377

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81108462) is 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCc1cccnc1.
What is the InChIKey of 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is PSNVYJROMXOZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15-5-1-4-14-13(15)6-7-16(20)18(14)10-8-12-3-2-9-17-11-12/h2-3,6-7,9,11H,1,4-5,8,10H2.
What are the key properties of 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 268.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81108462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).