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

C15H11BrFNO2S — CID 62017892

IUPAC1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2ccc(F)cc21)c1sccc1Br
InChIInChI=1S/C15H11BrFNO2S/c16-11-5-6-21-15(11)13(19)8-18-12-7-10(17)3-1-9(12)2-4-14(18)20/h1,3,5-7H,2,4,8H2
InChIKeyQVAMRNWTAWCEBT-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.81
Rot. Bonds3

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

1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 62017892) has the molecular formula C15H11BrFNO2S and a molecular weight of 368.23 g/mol. Its IUPAC name is 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
PubChem CID62017892
Molecular FormulaC15H11BrFNO2S
Molecular Weight368.23 g/mol
Exact Mass366.97
IUPAC Name1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2ccc(F)cc21)c1sccc1Br
InChIInChI=1S/C15H11BrFNO2S/c16-11-5-6-21-15(11)13(19)8-18-12-7-10(17)3-1-9(12)2-4-14(18)20/h1,3,5-7H,2,4,8H2
InChIKeyQVAMRNWTAWCEBT-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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Related Compounds

1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 62017896
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024709
7-fluoro-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
CID 61344681
7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 113399039
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
CID 103071710
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43243930
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-6-chloroindole-2,3-dione
CID 62023850
tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 116662624
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-4-chloroindole-2,3-dione
CID 62022928
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934
2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513727

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one (CID 62017892) is 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one is O=C(CN1C(=O)CCc2ccc(F)cc21)c1sccc1Br.
What is the InChIKey of 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is QVAMRNWTAWCEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2S/c16-11-5-6-21-15(11)13(19)8-18-12-7-10(17)3-1-9(12)2-4-14(18)20/h1,3,5-7H,2,4,8H2.
What are the key properties of 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one?
1-[2-(3-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-(3-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 62017892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).