ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate

C19H19N3O4 — CID 54729615

IUPACethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c(=O)c(C(=O)OCC)c(O)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C19H19N3O4/c1-3-10-22-17-13(15(23)14(18(22)24)19(25)26-4-2)11-20-16(21-17)12-8-6-5-7-9-12/h5-9,11,23H,3-4,10H2,1-2H3
InChIKeySQKIAZZCKMOZGL-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.75
Rot. Bonds5

About ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 54729615) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID54729615
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nameethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c(=O)c(C(=O)OCC)c(O)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C19H19N3O4/c1-3-10-22-17-13(15(23)14(18(22)24)19(25)26-4-2)11-20-16(21-17)12-8-6-5-7-9-12/h5-9,11,23H,3-4,10H2,1-2H3
InChIKeySQKIAZZCKMOZGL-UHFFFAOYSA-N
XLogP2.75
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 54729615) is ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate is CCCn1c(=O)c(C(=O)OCC)c(O)c2cnc(-c3ccccc3)nc21.
What is the InChIKey of ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is SQKIAZZCKMOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-10-22-17-13(15(23)14(18(22)24)19(25)26-4-2)11-20-16(21-17)12-8-6-5-7-9-12/h5-9,11,23H,3-4,10H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 54729615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).