6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C13H10BrN3O2 — CID 63867081

IUPAC6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3ncc(Br)cn3)ccc2N1
InChIInChI=1S/C13H10BrN3O2/c14-9-6-15-13(16-7-9)19-10-2-3-11-8(5-10)1-4-12(18)17-11/h2-3,5-7H,1,4H2,(H,17,18)
InChIKeyDOFGEVKLVLQVLD-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.92
Rot. Bonds2

About 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63867081) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID63867081
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3ncc(Br)cn3)ccc2N1
InChIInChI=1S/C13H10BrN3O2/c14-9-6-15-13(16-7-9)19-10-2-3-11-8(5-10)1-4-12(18)17-11/h2-3,5-7H,1,4H2,(H,17,18)
InChIKeyDOFGEVKLVLQVLD-UHFFFAOYSA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-[(5-amino-4-methyl-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 79175974
6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 107275127
6-[2-(aminomethyl)-4-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114889839
6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile
CID 24693753
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-2-carboxylic acid
CID 43325986
6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 79081517
6-(1-methylindazol-5-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 166453232
6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114380710
6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80917841
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 63867081) is 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3ncc(Br)cn3)ccc2N1.
What is the InChIKey of 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DOFGEVKLVLQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-9-6-15-13(16-7-9)19-10-2-3-11-8(5-10)1-4-12(18)17-11/h2-3,5-7H,1,4H2,(H,17,18).
What are the key properties of 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 320.15 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63867081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).