5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one

C16H15N3O — CID 136769605

IUPAC5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2ccc3ncccc3c2)nc[nH]c1=O
InChIInChI=1S/C16H15N3O/c1-10(2)14-15(18-9-19-16(14)20)12-5-6-13-11(8-12)4-3-7-17-13/h3-10H,1-2H3,(H,18,19,20)
InChIKeyVLTDACYBOMDJSS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.11
Rot. Bonds2

About 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one

5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one (PubChem CID 136769605) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
PubChem CID136769605
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2ccc3ncccc3c2)nc[nH]c1=O
InChIInChI=1S/C16H15N3O/c1-10(2)14-15(18-9-19-16(14)20)12-5-6-13-11(8-12)4-3-7-17-13/h3-10H,1-2H3,(H,18,19,20)
InChIKeyVLTDACYBOMDJSS-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136955633
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
2-propan-2-yl-4-quinolin-6-ylimidazole-1,5-diamine
CID 63970356
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
8,8-dimethyl-4,12-di(quinolin-6-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58516892
5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one
CID 137128057
6-(1H-azirin-2-yl)quinoline
CID 146540612
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136691872
1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63349181
3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine
CID 82541687
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one (CID 136769605) is 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one is CC(C)c1c(-c2ccc3ncccc3c2)nc[nH]c1=O.
What is the InChIKey of 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one?
The InChIKey is VLTDACYBOMDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10(2)14-15(18-9-19-16(14)20)12-5-6-13-11(8-12)4-3-7-17-13/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one?
5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one has a molecular weight of 265.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).