6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one

C17H16N2O — CID 14373272

IUPAC6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESC/C(=C\c1cccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H16N2O/c1-12(9-13-3-2-8-18-11-13)14-4-6-16-15(10-14)5-7-17(20)19-16/h2-4,6,8-11H,5,7H2,1H3,(H,19,20)/b12-9+
InChIKeyWAUUCSOZWPOYMZ-FMIVXFBMSA-N
MW264.33 g/mol
LogP3.53
Rot. Bonds2

About 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one

6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 14373272) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID14373272
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESC/C(=C\c1cccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H16N2O/c1-12(9-13-3-2-8-18-11-13)14-4-6-16-15(10-14)5-7-17(20)19-16/h2-4,6,8-11H,5,7H2,1H3,(H,19,20)/b12-9+
InChIKeyWAUUCSOZWPOYMZ-FMIVXFBMSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 14373272) is 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one is C/C(=C\c1cccnc1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WAUUCSOZWPOYMZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(9-13-3-2-8-18-11-13)14-4-6-16-15(10-14)5-7-17(20)19-16/h2-4,6,8-11H,5,7H2,1H3,(H,19,20)/b12-9+.
What are the key properties of 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 14373272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).