2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one

C15H11ClN4O2 — CID 3233591

IUPAC2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one
SMILESO=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1
InChIInChI=1S/C15H11ClN4O2/c16-9-2-1-3-11(6-9)22-15-18-7-12-14(19-15)20(10-4-5-10)13(21)8-17-12/h1-3,6-8,10H,4-5H2
InChIKeyGAXCMYJLUOFOFZ-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.97
Rot. Bonds3

About 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one

2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one (PubChem CID 3233591) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one
PubChem CID3233591
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one
SMILESO=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1
InChIInChI=1S/C15H11ClN4O2/c16-9-2-1-3-11(6-9)22-15-18-7-12-14(19-15)20(10-4-5-10)13(21)8-17-12/h1-3,6-8,10H,4-5H2
InChIKeyGAXCMYJLUOFOFZ-UHFFFAOYSA-N
XLogP2.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one?
The IUPAC name of 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one (CID 3233591) is 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one?
The canonical SMILES for 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one is O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one?
The InChIKey is GAXCMYJLUOFOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-9-2-1-3-11(6-9)22-15-18-7-12-14(19-15)20(10-4-5-10)13(21)8-17-12/h1-3,6-8,10H,4-5H2.
What are the key properties of 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one?
2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one has a molecular weight of 314.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-8-cyclopropylpteridin-7-one is sourced from PubChem (CID 3233591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).