1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C22H19N3O4 — CID 110171948

IUPAC1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cnc3c(c2)c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC
InChIInChI=1S/C22H19N3O4/c1-28-18-9-8-15(11-19(18)29-2)16-10-17-20(23-12-16)25(22(27)24-21(17)26)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,26,27)
InChIKeyCLXFXTOTFHKHNO-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.82
Rot. Bonds5

About 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110171948) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110171948
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cnc3c(c2)c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC
InChIInChI=1S/C22H19N3O4/c1-28-18-9-8-15(11-19(18)29-2)16-10-17-20(23-12-16)25(22(27)24-21(17)26)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,26,27)
InChIKeyCLXFXTOTFHKHNO-UHFFFAOYSA-N
XLogP2.82
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110171949
3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 138737245
5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-methoxybenzaldehyde
CID 11653391
6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12028356
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide
CID 155556093
1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17148094
3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11646232
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498762
2-benzyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 11003326
3-[(3-methylphenyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11647142
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552519

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 110171948) is 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2cnc3c(c2)c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC.
What is the InChIKey of 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CLXFXTOTFHKHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-28-18-9-8-15(11-19(18)29-2)16-10-17-20(23-12-16)25(22(27)24-21(17)26)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,26,27).
What are the key properties of 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 389.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110171948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).