1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one

C15H11BrFNO2S — CID 62017896

IUPAC1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2ccc(F)cc21)c1ccc(Br)s1
InChIInChI=1S/C15H11BrFNO2S/c16-14-5-4-13(21-14)12(19)8-18-11-7-10(17)3-1-9(11)2-6-15(18)20/h1,3-5,7H,2,6,8H2
InChIKeyMYRKFLDDGQYBRG-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.81
Rot. Bonds3

About 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one

1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 62017896) has the molecular formula C15H11BrFNO2S and a molecular weight of 368.23 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
PubChem CID62017896
Molecular FormulaC15H11BrFNO2S
Molecular Weight368.23 g/mol
Exact Mass366.97
IUPAC Name1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2ccc(F)cc21)c1ccc(Br)s1
InChIInChI=1S/C15H11BrFNO2S/c16-14-5-4-13(21-14)12(19)8-18-11-7-10(17)3-1-9(11)2-6-15(18)20/h1,3-5,7H,2,6,8H2
InChIKeyMYRKFLDDGQYBRG-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one (CID 62017896) is 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one is O=C(CN1C(=O)CCc2ccc(F)cc21)c1ccc(Br)s1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is MYRKFLDDGQYBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2S/c16-14-5-4-13(21-14)12(19)8-18-11-7-10(17)3-1-9(11)2-6-15(18)20/h1,3-5,7H,2,6,8H2.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 368.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 62017896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).