6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one

C24H22FN5O3 — CID 3232759

IUPAC6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C24H22FN5O3/c1-32-19-4-2-3-16(13-19)15-30-22-20(14-26-24(28-22)29-9-11-33-12-10-29)27-21(23(30)31)17-5-7-18(25)8-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyXLQXNJTTZLNORS-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.89
Rot. Bonds5

About 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one

6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one (PubChem CID 3232759) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
PubChem CID3232759
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C24H22FN5O3/c1-32-19-4-2-3-16(13-19)15-30-22-20(14-26-24(28-22)29-9-11-33-12-10-29)27-21(23(30)31)17-5-7-18(25)8-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyXLQXNJTTZLNORS-UHFFFAOYSA-N
XLogP2.89
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one (CID 3232759) is 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one is COc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCOCC4)nc32)c1.
What is the InChIKey of 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The InChIKey is XLQXNJTTZLNORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-32-19-4-2-3-16(13-19)15-30-22-20(14-26-24(28-22)29-9-11-33-12-10-29)27-21(23(30)31)17-5-7-18(25)8-6-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one has a molecular weight of 447.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3232759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).