4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one

C17H18N2O3 — CID 73440828

IUPAC4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one
SMILESCOc1cccc(C2NC(=O)N3CCC=CC3=C2C(C)=O)c1
InChIInChI=1S/C17H18N2O3/c1-11(20)15-14-8-3-4-9-19(14)17(21)18-16(15)12-6-5-7-13(10-12)22-2/h3,5-8,10,16H,4,9H2,1-2H3,(H,18,21)
InChIKeyKZKIBVOEUOWYIQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.56
Rot. Bonds3

About 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one

4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one (PubChem CID 73440828) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one
PubChem CID73440828
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one
SMILESCOc1cccc(C2NC(=O)N3CCC=CC3=C2C(C)=O)c1
InChIInChI=1S/C17H18N2O3/c1-11(20)15-14-8-3-4-9-19(14)17(21)18-16(15)12-6-5-7-13(10-12)22-2/h3,5-8,10,16H,4,9H2,1-2H3,(H,18,21)
InChIKeyKZKIBVOEUOWYIQ-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-1-(2-oxopropyl)imidazolidin-2-one
CID 116980510
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
methyl (4R)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95184525
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 142506558
cyclopentyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855099
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(4R)-4-(3-methoxyphenyl)-6-methyl-5-propanoyl-3,4-dihydro-1H-pyrimidin-2-one
CID 134968151
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
methyl 2-[(2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetate
CID 787706
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one?
The IUPAC name of 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one (CID 73440828) is 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one.
What is the SMILES notation for 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one?
The canonical SMILES for 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one is COc1cccc(C2NC(=O)N3CCC=CC3=C2C(C)=O)c1.
What is the InChIKey of 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one?
The InChIKey is KZKIBVOEUOWYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(20)15-14-8-3-4-9-19(14)17(21)18-16(15)12-6-5-7-13(10-12)22-2/h3,5-8,10,16H,4,9H2,1-2H3,(H,18,21).
What are the key properties of 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one?
4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one has a molecular weight of 298.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-(3-methoxyphenyl)-2,3,7,8-tetrahydropyrido[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 73440828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).