6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C14H11BrFNO2S — CID 61080520

IUPAC6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccc(Br)s3)c(F)cc2N1
InChIInChI=1S/C14H11BrFNO2S/c15-12-3-2-11(20-12)14(19)8-5-7-1-4-13(18)17-10(7)6-9(8)16/h2-3,5-6,14,19H,1,4H2,(H,17,18)
InChIKeySVDIMQCIXZSABU-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.62
Rot. Bonds2

About 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080520) has the molecular formula C14H11BrFNO2S and a molecular weight of 356.22 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080520
Molecular FormulaC14H11BrFNO2S
Molecular Weight356.22 g/mol
Exact Mass354.97
IUPAC Name6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccc(Br)s3)c(F)cc2N1
InChIInChI=1S/C14H11BrFNO2S/c15-12-3-2-11(20-12)14(19)8-5-7-1-4-13(18)17-10(7)6-9(8)16/h2-3,5-6,14,19H,1,4H2,(H,17,18)
InChIKeySVDIMQCIXZSABU-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678804
9-bromo-6-fluoro-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678805
9-bromo-6,7-difluoro-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678807
7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61080518
6-[(4-bromophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080702
7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61080893
7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61080894
7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61081079
6-[(2-bromophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61082660
6-[(3-bromophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61082662
6-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086977
6-[(2-bromo-4-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087529

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 61080520) is 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)c3ccc(Br)s3)c(F)cc2N1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SVDIMQCIXZSABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2S/c15-12-3-2-11(20-12)14(19)8-5-7-1-4-13(18)17-10(7)6-9(8)16/h2-3,5-6,14,19H,1,4H2,(H,17,18).
What are the key properties of 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 356.22 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).