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

C21H20N4O2 — CID 66926236

IUPAC5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCN1Cc2c(Oc3ccc(Nc4ccccc4)cc3)ccnc2NC1=O
InChIInChI=1S/C21H20N4O2/c1-2-25-14-18-19(12-13-22-20(18)24-21(25)26)27-17-10-8-16(9-11-17)23-15-6-4-3-5-7-15/h3-13,23H,2,14H2,1H3,(H,22,24,26)
InChIKeyCHKIMTOMVWQACN-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.98
Rot. Bonds5

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

5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 66926236) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID66926236
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCN1Cc2c(Oc3ccc(Nc4ccccc4)cc3)ccnc2NC1=O
InChIInChI=1S/C21H20N4O2/c1-2-25-14-18-19(12-13-22-20(18)24-21(25)26)27-17-10-8-16(9-11-17)23-15-6-4-3-5-7-15/h3-13,23H,2,14H2,1H3,(H,22,24,26)
InChIKeyCHKIMTOMVWQACN-UHFFFAOYSA-N
XLogP4.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 66926236) is 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is CCN1Cc2c(Oc3ccc(Nc4ccccc4)cc3)ccnc2NC1=O.
What is the InChIKey of 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is CHKIMTOMVWQACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-25-14-18-19(12-13-22-20(18)24-21(25)26)27-17-10-8-16(9-11-17)23-15-6-4-3-5-7-15/h3-13,23H,2,14H2,1H3,(H,22,24,26).
What are the key properties of 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 360.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 66926236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).