2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one

C13H10BrNOS — CID 53319548

IUPAC2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ccc(Br)s3)ccc21
InChIInChI=1S/C13H10BrNOS/c14-13-7-6-12(17-13)10-5-4-8-9(15-10)2-1-3-11(8)16/h4-7H,1-3H2
InChIKeyPFGIEZVMHOGFPU-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.09
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one

2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 53319548) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID53319548
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ccc(Br)s3)ccc21
InChIInChI=1S/C13H10BrNOS/c14-13-7-6-12(17-13)10-5-4-8-9(15-10)2-1-3-11(8)16/h4-7H,1-3H2
InChIKeyPFGIEZVMHOGFPU-UHFFFAOYSA-N
XLogP4.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one (CID 53319548) is 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3ccc(Br)s3)ccc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is PFGIEZVMHOGFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-13-7-6-12(17-13)10-5-4-8-9(15-10)2-1-3-11(8)16/h4-7H,1-3H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one?
2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 308.20 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 53319548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).