3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C17H19N3O3S — CID 128999583

IUPAC3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)/C=C/c1ccccc1)C2
InChIInChI=1S/C17H19N3O3S/c1-2-19-13-18-16-12-20(10-8-15(16)17(19)21)24(22,23)11-9-14-6-4-3-5-7-14/h3-7,9,11,13H,2,8,10,12H2,1H3/b11-9+
InChIKeyRYYJAIBKFVUYKK-PKNBQFBNSA-N
MW345.42 g/mol
LogP1.62
Rot. Bonds4

About 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128999583) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128999583
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)/C=C/c1ccccc1)C2
InChIInChI=1S/C17H19N3O3S/c1-2-19-13-18-16-12-20(10-8-15(16)17(19)21)24(22,23)11-9-14-6-4-3-5-7-14/h3-7,9,11,13H,2,8,10,12H2,1H3/b11-9+
InChIKeyRYYJAIBKFVUYKK-PKNBQFBNSA-N
XLogP1.62
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 127958529
11-(2-phenylethenylsulfonyl)-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene
CID 171130614
7-(1,2-benzoxazol-3-ylmethylsulfonyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999594
N-ethyl-N-methyl-2-phenyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42666263
3-ethyl-7-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999601
3-ethyl-7-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999604
3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one
CID 4834365
4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
CID 2524566
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
7-ethylsulfonyl-3-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128974281
4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42786772
4-ethyl-2-methyl-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-1,2,4-triazol-3-one
CID 56714279

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128999583) is 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(S(=O)(=O)/C=C/c1ccccc1)C2.
What is the InChIKey of 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RYYJAIBKFVUYKK-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-19-13-18-16-12-20(10-8-15(16)17(19)21)24(22,23)11-9-14-6-4-3-5-7-14/h3-7,9,11,13H,2,8,10,12H2,1H3/b11-9+.
What are the key properties of 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 345.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128999583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).