9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one

C16H16N2O2 — CID 142256933

IUPAC9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
SMILESCC1CNc2c(C(=O)c3ccccc3)ccc(=O)n2C1
InChIInChI=1S/C16H16N2O2/c1-11-9-17-16-13(7-8-14(19)18(16)10-11)15(20)12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyFMAUHBBBXOTUMB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.14
Rot. Bonds2

About 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one

9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one (PubChem CID 142256933) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
PubChem CID142256933
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
SMILESCC1CNc2c(C(=O)c3ccccc3)ccc(=O)n2C1
InChIInChI=1S/C16H16N2O2/c1-11-9-17-16-13(7-8-14(19)18(16)10-11)15(20)12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyFMAUHBBBXOTUMB-UHFFFAOYSA-N
XLogP2.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one
CID 59995779
10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one
CID 59995836
(5aR,9aS)-4-benzoyl-5a,6,7,8,9,9a-hexahydro-5H-pyrido[1,2-a]benzimidazol-1-one
CID 59995813
4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one
CID 22258271
(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone
CID 102242065
5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid
CID 53337821
6-amino-5-benzoyl-1-phenylpyridin-2-one
CID 11644976
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
ethyl 9-benzoyl-6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylate
CID 177485155
phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 135671358
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The IUPAC name of 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one (CID 142256933) is 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one is CC1CNc2c(C(=O)c3ccccc3)ccc(=O)n2C1.
What is the InChIKey of 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The InChIKey is FMAUHBBBXOTUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-9-17-16-13(7-8-14(19)18(16)10-11)15(20)12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one has a molecular weight of 268.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 142256933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).