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

C14H10BrNOS — CID 143664923

IUPAC(3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C/C1=C\c1cc(Br)cs1
InChIInChI=1S/C14H10BrNOS/c15-11-7-12(18-8-11)6-10-5-9-3-1-2-4-13(9)16-14(10)17/h1-4,6-8H,5H2,(H,16,17)/b10-6+
InChIKeyDIPBXDZWGYXMSF-UXBLZVDNSA-N
MW320.21 g/mol
LogP4.09
Rot. Bonds1

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

(3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one (PubChem CID 143664923) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one
PubChem CID143664923
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name(3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C/C1=C\c1cc(Br)cs1
InChIInChI=1S/C14H10BrNOS/c15-11-7-12(18-8-11)6-10-5-9-3-1-2-4-13(9)16-14(10)17/h1-4,6-8H,5H2,(H,16,17)/b10-6+
InChIKeyDIPBXDZWGYXMSF-UXBLZVDNSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one
CID 143664927
(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1H-indol-2-one
CID 6036100
(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one
CID 143664951
(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-[(4-bromothiophen-2-yl)methylidene]-5-cyclopentylcyclopentan-1-one
CID 6621213
5-[(4-bromothiophen-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 2805257
5-[(4-bromothiophen-2-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 4876030
(3E,5E)-3,5-bis[(4-bromothiophen-2-yl)methylidene]-1-ethylpiperidin-4-one
CID 46505859
9,10-dihydroacridine
CID 137366999
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one?
The IUPAC name of (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one (CID 143664923) is (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one.
What is the SMILES notation for (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one?
The canonical SMILES for (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one is O=C1Nc2ccccc2C/C1=C\c1cc(Br)cs1.
What is the InChIKey of (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one?
The InChIKey is DIPBXDZWGYXMSF-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H10BrNOS/c15-11-7-12(18-8-11)6-10-5-9-3-1-2-4-13(9)16-14(10)17/h1-4,6-8H,5H2,(H,16,17)/b10-6+.
What are the key properties of (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one?
(3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one has a molecular weight of 320.21 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 143664923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).