3-[(E)-2-phenylethenyl]-3H-quinolin-4-one

C17H13NO — CID 134695074

IUPAC3-[(E)-2-phenylethenyl]-3H-quinolin-4-one
SMILESO=C1c2ccccc2N=CC1/C=C/c1ccccc1
InChIInChI=1S/C17H13NO/c19-17-14(11-10-13-6-2-1-3-7-13)12-18-16-9-5-4-8-15(16)17/h1-12,14H/b11-10+
InChIKeyGGBCGKZBFAVLGN-ZHACJKMWSA-N
MW247.30 g/mol
LogP3.91
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one

3-[(E)-2-phenylethenyl]-3H-quinolin-4-one (PubChem CID 134695074) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-3H-quinolin-4-one
PubChem CID134695074
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name3-[(E)-2-phenylethenyl]-3H-quinolin-4-one
SMILESO=C1c2ccccc2N=CC1/C=C/c1ccccc1
InChIInChI=1S/C17H13NO/c19-17-14(11-10-13-6-2-1-3-7-13)12-18-16-9-5-4-8-15(16)17/h1-12,14H/b11-10+
InChIKeyGGBCGKZBFAVLGN-ZHACJKMWSA-N
XLogP3.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one?
The IUPAC name of 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one (CID 134695074) is 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one is O=C1c2ccccc2N=CC1/C=C/c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one?
The InChIKey is GGBCGKZBFAVLGN-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-14(11-10-13-6-2-1-3-7-13)12-18-16-9-5-4-8-15(16)17/h1-12,14H/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one?
3-[(E)-2-phenylethenyl]-3H-quinolin-4-one has a molecular weight of 247.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-3H-quinolin-4-one is sourced from PubChem (CID 134695074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).