6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one

C14H12BrN3O — CID 116897256

IUPAC6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc3c(c2)CCC(=O)N3)nc(Br)n1
InChIInChI=1S/C14H12BrN3O/c1-8-6-12(18-14(15)16-8)10-2-4-11-9(7-10)3-5-13(19)17-11/h2,4,6-7H,3,5H2,1H3,(H,17,19)
InChIKeyHGQMWPCPXIXSPB-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.10
Rot. Bonds1

About 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one

6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116897256) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116897256
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc3c(c2)CCC(=O)N3)nc(Br)n1
InChIInChI=1S/C14H12BrN3O/c1-8-6-12(18-14(15)16-8)10-2-4-11-9(7-10)3-5-13(19)17-11/h2,4,6-7H,3,5H2,1H3,(H,17,19)
InChIKeyHGQMWPCPXIXSPB-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
2-bromo-4-(3,4-dihydro-2H-thiochromen-6-yl)-6-methylpyrimidine
CID 116897312
6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
4-bromo-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 116858186
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-[2-bromo-5-(methylaminomethyl)-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610309
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 116897256) is 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2ccc3c(c2)CCC(=O)N3)nc(Br)n1.
What is the InChIKey of 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HGQMWPCPXIXSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-8-6-12(18-14(15)16-8)10-2-4-11-9(7-10)3-5-13(19)17-11/h2,4,6-7H,3,5H2,1H3,(H,17,19).
What are the key properties of 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 318.17 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116897256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).