6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one

C15H13N3O2 — CID 116833046

IUPAC6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)Cc3ncccn3)ccc2N1
InChIInChI=1S/C15H13N3O2/c19-13(9-14-16-6-1-7-17-14)11-2-4-12-10(8-11)3-5-15(20)18-12/h1-2,4,6-8H,3,5,9H2,(H,18,20)
InChIKeyIIPMHDMERSEMIF-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.79
Rot. Bonds3

About 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one

6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116833046) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116833046
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)Cc3ncccn3)ccc2N1
InChIInChI=1S/C15H13N3O2/c19-13(9-14-16-6-1-7-17-14)11-2-4-12-10(8-11)3-5-15(20)18-12/h1-2,4,6-8H,3,5,9H2,(H,18,20)
InChIKeyIIPMHDMERSEMIF-UHFFFAOYSA-N
XLogP1.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 116826300
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 55817918
6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51183735
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
CID 40743944
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one (CID 116833046) is 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)Cc3ncccn3)ccc2N1.
What is the InChIKey of 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IIPMHDMERSEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-13(9-14-16-6-1-7-17-14)11-2-4-12-10(8-11)3-5-15(20)18-12/h1-2,4,6-8H,3,5,9H2,(H,18,20).
What are the key properties of 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 267.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116833046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).