(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one

C18H13NO — CID 23656826

IUPAC(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H13NO/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19-17/h1-13H/b13-10+
InChIKeyRCIWSLNZZHBJDT-JLHYYAGUSA-N
MW259.31 g/mol
LogP4.13
Rot. Bonds3

About (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one

(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one (PubChem CID 23656826) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
PubChem CID23656826
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H13NO/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19-17/h1-13H/b13-10+
InChIKeyRCIWSLNZZHBJDT-JLHYYAGUSA-N
XLogP4.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one
CID 72520418
3-phenyl-1-quinazolin-2-ylprop-2-en-1-one
CID 174920996
zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)
CID 67043114
3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013506
3-methyl-1-quinolin-2-ylbut-2-en-1-one
CID 79190810
europium;quinoline-2-carboxylic acid
CID 87730482
copper;quinoline-2-carboxylic acid
CID 68537473
3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013153
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
3-[4-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013306
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one (CID 23656826) is (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one?
The InChIKey is RCIWSLNZZHBJDT-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H13NO/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19-17/h1-13H/b13-10+.
What are the key properties of (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one?
(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one has a molecular weight of 259.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 23656826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).