5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

C15H14ClN3O2 — CID 70498650

IUPAC5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCN1Cc2c(Oc3cccc(Cl)c3)ccnc2NC1=O
InChIInChI=1S/C15H14ClN3O2/c1-2-19-9-12-13(6-7-17-14(12)18-15(19)20)21-11-5-3-4-10(16)8-11/h3-8H,2,9H2,1H3,(H,17,18,20)
InChIKeyFVFIWHZSIQFPPM-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.89
Rot. Bonds3

About 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 70498650) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID70498650
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCN1Cc2c(Oc3cccc(Cl)c3)ccnc2NC1=O
InChIInChI=1S/C15H14ClN3O2/c1-2-19-9-12-13(6-7-17-14(12)18-15(19)20)21-11-5-3-4-10(16)8-11/h3-8H,2,9H2,1H3,(H,17,18,20)
InChIKeyFVFIWHZSIQFPPM-UHFFFAOYSA-N
XLogP3.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 70498650) is 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is CCN1Cc2c(Oc3cccc(Cl)c3)ccnc2NC1=O.
What is the InChIKey of 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is FVFIWHZSIQFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-2-19-9-12-13(6-7-17-14(12)18-15(19)20)21-11-5-3-4-10(16)8-11/h3-8H,2,9H2,1H3,(H,17,18,20).
What are the key properties of 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 70498650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).