6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one

C19H13ClN4O2 — CID 3232788

IUPAC6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C19H13ClN4O2/c1-24-17-15(11-21-19(23-17)26-14-5-3-2-4-6-14)22-16(18(24)25)12-7-9-13(20)10-8-12/h2-11H,1H3
InChIKeyXWFZVVQIKOWJQU-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.84
Rot. Bonds3

About 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one

6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one (PubChem CID 3232788) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one
PubChem CID3232788
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C19H13ClN4O2/c1-24-17-15(11-21-19(23-17)26-14-5-3-2-4-6-14)22-16(18(24)25)12-7-9-13(20)10-8-12/h2-11H,1H3
InChIKeyXWFZVVQIKOWJQU-UHFFFAOYSA-N
XLogP3.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one (CID 3232788) is 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one is Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccccc3)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one?
The InChIKey is XWFZVVQIKOWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c1-24-17-15(11-21-19(23-17)26-14-5-3-2-4-6-14)22-16(18(24)25)12-7-9-13(20)10-8-12/h2-11H,1H3.
What are the key properties of 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one?
6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one has a molecular weight of 364.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-methyl-2-phenoxypteridin-7-one is sourced from PubChem (CID 3232788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).