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

C16H14N2O — CID 14373270

IUPAC6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(/C=C/c3cccnc3)ccc2N1
InChIInChI=1S/C16H14N2O/c19-16-8-6-14-10-12(5-7-15(14)18-16)3-4-13-2-1-9-17-11-13/h1-5,7,9-11H,6,8H2,(H,18,19)/b4-3+
InChIKeyNPAAMXKQIPKKAT-ONEGZZNKSA-N
MW250.30 g/mol
LogP3.14
Rot. Bonds2

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

6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 14373270) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID14373270
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(/C=C/c3cccnc3)ccc2N1
InChIInChI=1S/C16H14N2O/c19-16-8-6-14-10-12(5-7-15(14)18-16)3-4-13-2-1-9-17-11-13/h1-5,7,9-11H,6,8H2,(H,18,19)/b4-3+
InChIKeyNPAAMXKQIPKKAT-ONEGZZNKSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one (CID 14373270) is 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(/C=C/c3cccnc3)ccc2N1.
What is the InChIKey of 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NPAAMXKQIPKKAT-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-8-6-14-10-12(5-7-15(14)18-16)3-4-13-2-1-9-17-11-13/h1-5,7,9-11H,6,8H2,(H,18,19)/b4-3+.
What are the key properties of 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 14373270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).