(E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one

C18H12BrNO — CID 102497981

IUPAC(E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C18H12BrNO/c19-15-9-6-13(7-10-15)8-11-17(21)16-5-1-3-14-4-2-12-20-18(14)16/h1-12H/b11-8+
InChIKeyBOGKKPUHOLBVMI-DHZHZOJOSA-N
MW338.20 g/mol
LogP4.89
Rot. Bonds3

About (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one

(E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one (PubChem CID 102497981) has the molecular formula C18H12BrNO and a molecular weight of 338.20 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one
PubChem CID102497981
Molecular FormulaC18H12BrNO
Molecular Weight338.20 g/mol
Exact Mass337.01
IUPAC Name(E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C18H12BrNO/c19-15-9-6-13(7-10-15)8-11-17(21)16-5-1-3-14-4-2-12-20-18(14)16/h1-12H/b11-8+
InChIKeyBOGKKPUHOLBVMI-DHZHZOJOSA-N
XLogP4.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.89
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)-3-(4-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359486
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
palladium;quinoline-8-carboxylic acid
CID 174945118
(E)-1-(4-bromophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 175919644
(E)-1-(4-bromophenyl)-3-quinolin-8-yloxyprop-2-en-1-one
CID 27137129
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one
CID 141150600
(E)-1-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 71726330
methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
CID 122455034
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
CID 5127600

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one (CID 102497981) is (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one is O=C(/C=C/c1ccc(Br)cc1)c1cccc2cccnc12.
What is the InChIKey of (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one?
The InChIKey is BOGKKPUHOLBVMI-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H12BrNO/c19-15-9-6-13(7-10-15)8-11-17(21)16-5-1-3-14-4-2-12-20-18(14)16/h1-12H/b11-8+.
What are the key properties of (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one?
(E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one has a molecular weight of 338.20 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one is sourced from PubChem (CID 102497981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).