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

C14H13BrN2OS — CID 63798074

IUPAC6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1ccc2c(c1)CCC(=O)N2)c1sccc1Br
InChIInChI=1S/C14H13BrN2OS/c15-10-5-6-19-14(10)13(16)9-1-3-11-8(7-9)2-4-12(18)17-11/h1,3,5-7,13H,2,4,16H2,(H,17,18)
InChIKeyZOBDLIRKKVEIMF-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.44
Rot. Bonds2

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

6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63798074) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID63798074
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1ccc2c(c1)CCC(=O)N2)c1sccc1Br
InChIInChI=1S/C14H13BrN2OS/c15-10-5-6-19-14(10)13(16)9-1-3-11-8(7-9)2-4-12(18)17-11/h1,3,5-7,13H,2,4,16H2,(H,17,18)
InChIKeyZOBDLIRKKVEIMF-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[amino-(3-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464752
6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 80536155
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-[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
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205
6-[amino-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43629721
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
2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile
CID 116851011
7-[amino-(5-bromofuran-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464756

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 63798074) is 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is NC(c1ccc2c(c1)CCC(=O)N2)c1sccc1Br.
What is the InChIKey of 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZOBDLIRKKVEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-10-5-6-19-14(10)13(16)9-1-3-11-8(7-9)2-4-12(18)17-11/h1,3,5-7,13H,2,4,16H2,(H,17,18).
What are the key properties of 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 337.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63798074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).