6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

C16H15N3O4 — CID 2077861

IUPAC6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)CN(C)C(=O)N3)c1
InChIInChI=1S/C16H15N3O4/c1-19-8-10-5-9(7-17-15(10)18-16(19)22)14(21)12-6-11(23-2)3-4-13(12)20/h3-7,20H,8H2,1-2H3,(H,17,18,22)
InChIKeyIVLUHQWKMDBVTN-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.00
Rot. Bonds3

About 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 2077861) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID2077861
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)CN(C)C(=O)N3)c1
InChIInChI=1S/C16H15N3O4/c1-19-8-10-5-9(7-17-15(10)18-16(19)22)14(21)12-6-11(23-2)3-4-13(12)20/h3-7,20H,8H2,1-2H3,(H,17,18,22)
InChIKeyIVLUHQWKMDBVTN-UHFFFAOYSA-N
XLogP2.00
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 2077861) is 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is COc1ccc(O)c(C(=O)c2cnc3c(c2)CN(C)C(=O)N3)c1.
What is the InChIKey of 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is IVLUHQWKMDBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-19-8-10-5-9(7-17-15(10)18-16(19)22)14(21)12-6-11(23-2)3-4-13(12)20/h3-7,20H,8H2,1-2H3,(H,17,18,22).
What are the key properties of 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 313.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-5-methoxybenzoyl)-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 2077861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).