1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione

C23H19N3O5 — CID 2439490

IUPAC1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3Cc2ccccc2)c1
InChIInChI=1S/C23H19N3O5/c1-25-22(29)18-10-15(20(28)17-11-16(31-2)8-9-19(17)27)12-24-21(18)26(23(25)30)13-14-6-4-3-5-7-14/h3-12,27H,13H2,1-2H3
InChIKeyVRXPBSGGJBDQFA-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.09
Rot. Bonds5

About 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione

1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2439490) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2439490
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3Cc2ccccc2)c1
InChIInChI=1S/C23H19N3O5/c1-25-22(29)18-10-15(20(28)17-11-16(31-2)8-9-19(17)27)12-24-21(18)26(23(25)30)13-14-6-4-3-5-7-14/h3-12,27H,13H2,1-2H3
InChIKeyVRXPBSGGJBDQFA-UHFFFAOYSA-N
XLogP2.09
TPSA103.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 2439490) is 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(O)c(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VRXPBSGGJBDQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-25-22(29)18-10-15(20(28)17-11-16(31-2)8-9-19(17)27)12-24-21(18)26(23(25)30)13-14-6-4-3-5-7-14/h3-12,27H,13H2,1-2H3.
What are the key properties of 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 417.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2439490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).