6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one

C15H12BrNO2S — CID 63796681

IUPAC6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)c3sccc3Br)ccc21
InChIInChI=1S/C15H12BrNO2S/c1-17-12-4-2-10(8-9(12)3-5-13(17)18)14(19)15-11(16)6-7-20-15/h2,4,6-8H,3,5H2,1H3
InChIKeyBVUZLOTZTLGJRH-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.65
Rot. Bonds2

About 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63796681) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63796681
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)c3sccc3Br)ccc21
InChIInChI=1S/C15H12BrNO2S/c1-17-12-4-2-10(8-9(12)3-5-13(17)18)14(19)15-11(16)6-7-20-15/h2,4,6-8H,3,5H2,1H3
InChIKeyBVUZLOTZTLGJRH-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096091
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
6-[bromo-(3-bromothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63797858
6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 107960022
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116826594
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63796681) is 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(=O)c3sccc3Br)ccc21.
What is the InChIKey of 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BVUZLOTZTLGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-17-12-4-2-10(8-9(12)3-5-13(17)18)14(19)15-11(16)6-7-20-15/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 350.24 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63796681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).