6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H19N3O2 — CID 135593730

IUPAC6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCc1ccc(C(=O)N2CCc3nc(C)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-12-4-6-13(7-5-12)17(22)20-9-8-15-14(10-20)16(21)19-11(2)18-15/h4-7H,3,8-10H2,1-2H3,(H,18,19,21)
InChIKeyAGKZBUSLQRIEHM-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.84
Rot. Bonds2

About 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135593730) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135593730
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCc1ccc(C(=O)N2CCc3nc(C)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-12-4-6-13(7-5-12)17(22)20-9-8-15-14(10-20)16(21)19-11(2)18-15/h4-7H,3,8-10H2,1-2H3,(H,18,19,21)
InChIKeyAGKZBUSLQRIEHM-UHFFFAOYSA-N
XLogP1.84
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorobenzoyl)-2-(4-ethylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622536
6-(3,5-difluorobenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058255
6-(4-tert-butylbenzoyl)-2-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816620
6-(4-methylbenzoyl)-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135482009
2-[(4-fluorophenyl)methyl]-6-(4-nitrobenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619327
2-methyl-7-[5-(methylsulfanylmethyl)furan-2-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136607703
2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135719567
4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide
CID 155539033
6-[(3,4-dichlorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674510
7-[3-(dimethylamino)benzoyl]-2-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136967939
2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-6-(4-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860792
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
CID 69268412

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135593730) is 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCc1ccc(C(=O)N2CCc3nc(C)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AGKZBUSLQRIEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-12-4-6-13(7-5-12)17(22)20-9-8-15-14(10-20)16(21)19-11(2)18-15/h4-7H,3,8-10H2,1-2H3,(H,18,19,21).
What are the key properties of 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135593730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).