5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one

C14H14BrN3O — CID 66312584

IUPAC5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one
SMILESCN1CCCc2cc(-c3ncc(Br)c(=O)[nH]3)ccc21
InChIInChI=1S/C14H14BrN3O/c1-18-6-2-3-9-7-10(4-5-12(9)18)13-16-8-11(15)14(19)17-13/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,19)
InChIKeyXBAWEZBZLIRARL-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.58
Rot. Bonds1

About 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one

5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one (PubChem CID 66312584) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one
PubChem CID66312584
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one
SMILESCN1CCCc2cc(-c3ncc(Br)c(=O)[nH]3)ccc21
InChIInChI=1S/C14H14BrN3O/c1-18-6-2-3-9-7-10(4-5-12(9)18)13-16-8-11(15)14(19)17-13/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,19)
InChIKeyXBAWEZBZLIRARL-UHFFFAOYSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one (CID 66312584) is 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one is CN1CCCc2cc(-c3ncc(Br)c(=O)[nH]3)ccc21.
What is the InChIKey of 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one?
The InChIKey is XBAWEZBZLIRARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18-6-2-3-9-7-10(4-5-12(9)18)13-16-8-11(15)14(19)17-13/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,19).
What are the key properties of 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one?
5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one has a molecular weight of 320.19 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66312584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).