(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one

C18H13NO — CID 13382828

IUPAC(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C18H13NO/c20-18(15-5-2-1-3-6-15)11-9-14-8-10-17-16(13-14)7-4-12-19-17/h1-13H/b11-9+
InChIKeyTUKWQOGFFWSECY-PKNBQFBNSA-N
MW259.31 g/mol
LogP4.13
Rot. Bonds3

About (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one

(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one (PubChem CID 13382828) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
PubChem CID13382828
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C18H13NO/c20-18(15-5-2-1-3-6-15)11-9-14-8-10-17-16(13-14)7-4-12-19-17/h1-13H/b11-9+
InChIKeyTUKWQOGFFWSECY-PKNBQFBNSA-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

(E)-1-(4-methylsulfanylphenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353447
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
CID 176900312
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-3-(2,1,3-benzoxadiazol-5-yl)-1-phenylprop-2-en-1-one
CID 44614580
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
2-hydroxyimino-1-phenylethanone;quinoline
CID 161451163
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one (CID 13382828) is (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one is O=C(/C=C/c1ccc2ncccc2c1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one?
The InChIKey is TUKWQOGFFWSECY-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H13NO/c20-18(15-5-2-1-3-6-15)11-9-14-8-10-17-16(13-14)7-4-12-19-17/h1-13H/b11-9+.
What are the key properties of (E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one?
(E)-1-phenyl-3-quinolin-6-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)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one is sourced from PubChem (CID 13382828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).