6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C14H12Br2N2OS — CID 80536155

IUPAC6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1ccc2c(c1)CCC(=O)N2)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H12Br2N2OS/c15-9-6-11(20-14(9)16)13(17)8-1-3-10-7(5-8)2-4-12(19)18-10/h1,3,5-6,13H,2,4,17H2,(H,18,19)
InChIKeyBQHJWXDQHDXLKG-UHFFFAOYSA-N
MW416.14 g/mol
LogP4.21
Rot. Bonds2

About 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 80536155) has the molecular formula C14H12Br2N2OS and a molecular weight of 416.14 g/mol. Its IUPAC name is 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID80536155
Molecular FormulaC14H12Br2N2OS
Molecular Weight416.14 g/mol
Exact Mass413.90
IUPAC Name6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1ccc2c(c1)CCC(=O)N2)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H12Br2N2OS/c15-9-6-11(20-14(9)16)13(17)8-1-3-10-7(5-8)2-4-12(19)18-10/h1,3,5-6,13H,2,4,17H2,(H,18,19)
InChIKeyBQHJWXDQHDXLKG-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 80536215
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205
6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 63798074
6-[amino-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43464148
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79996839
6-[amino-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43629721
6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79685089
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188
7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62277824
6-[amino-(5-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65308230
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 80536155) is 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is NC(c1ccc2c(c1)CCC(=O)N2)c1cc(Br)c(Br)s1.
What is the InChIKey of 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BQHJWXDQHDXLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2OS/c15-9-6-11(20-14(9)16)13(17)8-1-3-10-7(5-8)2-4-12(19)18-10/h1,3,5-6,13H,2,4,17H2,(H,18,19).
What are the key properties of 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 416.14 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 80536155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).