7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

C14H12BrNO2S — CID 114939999

IUPAC7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3cc(Br)cs3)cc2N1
InChIInChI=1S/C14H12BrNO2S/c15-10-5-12(19-8-10)7-18-11-3-1-9-2-4-14(17)16-13(9)6-11/h1,3,5-6,8H,2,4,7H2,(H,16,17)
InChIKeyXKLNIXRJVJSXTQ-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.97
Rot. Bonds3

About 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114939999) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID114939999
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3cc(Br)cs3)cc2N1
InChIInChI=1S/C14H12BrNO2S/c15-10-5-12(19-8-10)7-18-11-3-1-9-2-4-14(17)16-13(9)6-11/h1,3,5-6,8H,2,4,7H2,(H,16,17)
InChIKeyXKLNIXRJVJSXTQ-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878
7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940207
3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939866
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939921
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 114939999) is 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCc3cc(Br)cs3)cc2N1.
What is the InChIKey of 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XKLNIXRJVJSXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c15-10-5-12(19-8-10)7-18-11-3-1-9-2-4-14(17)16-13(9)6-11/h1,3,5-6,8H,2,4,7H2,(H,16,17).
What are the key properties of 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 338.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114939999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).