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

C18H17N3O4 — CID 54731864

IUPACethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(CC)c1=O
InChIInChI=1S/C18H17N3O4/c1-3-21-16-12(14(22)13(17(21)23)18(24)25-4-2)10-19-15(20-16)11-8-6-5-7-9-11/h5-10,22H,3-4H2,1-2H3
InChIKeyMUMWFBIMKPSHMR-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.36
Rot. Bonds4

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

ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 54731864) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID54731864
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(CC)c1=O
InChIInChI=1S/C18H17N3O4/c1-3-21-16-12(14(22)13(17(21)23)18(24)25-4-2)10-19-15(20-16)11-8-6-5-7-9-11/h5-10,22H,3-4H2,1-2H3
InChIKeyMUMWFBIMKPSHMR-UHFFFAOYSA-N
XLogP2.36
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 54731864) is ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(CC)c1=O.
What is the InChIKey of ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MUMWFBIMKPSHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-21-16-12(14(22)13(17(21)23)18(24)25-4-2)10-19-15(20-16)11-8-6-5-7-9-11/h5-10,22H,3-4H2,1-2H3.
What are the key properties of ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 54731864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).