(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one

C16H12BrNO — CID 143664927

IUPAC(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C/C1=C\c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c17-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)18-16(13)19/h1-9H,10H2,(H,18,19)/b13-9+
InChIKeyDQANKTBQMOGCBI-UKTHLTGXSA-N
MW314.18 g/mol
LogP4.03
Rot. Bonds1

About (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one

(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one (PubChem CID 143664927) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one
PubChem CID143664927
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C/C1=C\c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c17-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)18-16(13)19/h1-9H,10H2,(H,18,19)/b13-9+
InChIKeyDQANKTBQMOGCBI-UKTHLTGXSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one
CID 143664923
(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one
CID 143664951
(2E)-2-[(2-bromophenyl)methylidene]-3H-inden-1-one
CID 2623394
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 807692
(3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one
CID 130185154
(3E)-3-[[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,4-dihydroquinolin-2-one
CID 24900048
(3E)-6-chloro-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinolin-2-one;(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-fluoro-1,4-dihydroquinolin-2-one;(3E)-3-[(3,5-dibromophenyl)methylidene]-1,4-dihydroquinolin-2-one
CID 161051194
2,6-bis[(2-bromophenyl)methylidene]-4-methylcyclohexan-1-one
CID 3512133
9,10-dihydroacridine
CID 137366999
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
(2E)-2-[(2-bromophenyl)methylidene]-4-hydroxy-3H-inden-1-one
CID 99894080

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one?
The IUPAC name of (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one (CID 143664927) is (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one.
What is the SMILES notation for (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one?
The canonical SMILES for (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one is O=C1Nc2ccccc2C/C1=C\c1ccccc1Br.
What is the InChIKey of (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one?
The InChIKey is DQANKTBQMOGCBI-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)18-16(13)19/h1-9H,10H2,(H,18,19)/b13-9+.
What are the key properties of (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one?
(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one has a molecular weight of 314.18 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 143664927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).