8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one

C16H16N4O3 — CID 5330214

IUPAC8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(O)c(OC)c3)nc21
InChIInChI=1S/C16H16N4O3/c1-3-20-14(22)7-4-10-9-17-16(19-15(10)20)18-11-5-6-12(21)13(8-11)23-2/h4-9,21H,3H2,1-2H3,(H,17,18,19)
InChIKeyFHINTLXPUAAKTH-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.27
Rot. Bonds4

About 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330214) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330214
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(O)c(OC)c3)nc21
InChIInChI=1S/C16H16N4O3/c1-3-20-14(22)7-4-10-9-17-16(19-15(10)20)18-11-5-6-12(21)13(8-11)23-2/h4-9,21H,3H2,1-2H3,(H,17,18,19)
InChIKeyFHINTLXPUAAKTH-UHFFFAOYSA-N
XLogP2.27
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330214) is 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(O)c(OC)c3)nc21.
What is the InChIKey of 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FHINTLXPUAAKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-3-20-14(22)7-4-10-9-17-16(19-15(10)20)18-11-5-6-12(21)13(8-11)23-2/h4-9,21H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 312.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-hydroxy-3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).