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

C16H15FN4O2 — CID 18374874

IUPAC8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3cccc(F)c3OC)nc21
InChIInChI=1S/C16H15FN4O2/c1-3-21-13(22)8-7-10-9-18-16(20-15(10)21)19-12-6-4-5-11(17)14(12)23-2/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyNONLSGITGWURTI-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.70
Rot. Bonds4

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

8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374874) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374874
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3cccc(F)c3OC)nc21
InChIInChI=1S/C16H15FN4O2/c1-3-21-13(22)8-7-10-9-18-16(20-15(10)21)19-12-6-4-5-11(17)14(12)23-2/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyNONLSGITGWURTI-UHFFFAOYSA-N
XLogP2.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18374874) is 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3cccc(F)c3OC)nc21.
What is the InChIKey of 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NONLSGITGWURTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-3-21-13(22)8-7-10-9-18-16(20-15(10)21)19-12-6-4-5-11(17)14(12)23-2/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 314.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(3-fluoro-2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).