6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one

C23H20ClN5O3 — CID 3232869

IUPAC6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H20ClN5O3/c1-31-18-8-6-17(7-9-18)29-21-19(14-25-23(27-21)28-10-12-32-13-11-28)26-20(22(29)30)15-2-4-16(24)5-3-15/h2-9,14H,10-13H2,1H3
InChIKeyRXFGYAXKLVLMQD-UHFFFAOYSA-N
MW449.90 g/mol
LogP3.34
Rot. Bonds4

About 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one

6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one (PubChem CID 3232869) has the molecular formula C23H20ClN5O3 and a molecular weight of 449.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one
PubChem CID3232869
Molecular FormulaC23H20ClN5O3
Molecular Weight449.90 g/mol
Exact Mass449.13
IUPAC Name6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H20ClN5O3/c1-31-18-8-6-17(7-9-18)29-21-19(14-25-23(27-21)28-10-12-32-13-11-28)26-20(22(29)30)15-2-4-16(24)5-3-15/h2-9,14H,10-13H2,1H3
InChIKeyRXFGYAXKLVLMQD-UHFFFAOYSA-N
XLogP3.34
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one (CID 3232869) is 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one is COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one?
The InChIKey is RXFGYAXKLVLMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3/c1-31-18-8-6-17(7-9-18)29-21-19(14-25-23(27-21)28-10-12-32-13-11-28)26-20(22(29)30)15-2-4-16(24)5-3-15/h2-9,14H,10-13H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one?
6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one has a molecular weight of 449.90 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-(4-methoxyphenyl)-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3232869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).