2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one

C22H14N4O2S — CID 3233328

IUPAC2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C22H14N4O2S/c27-21-19(18-12-7-13-29-18)24-17-14-23-22(28-16-10-5-2-6-11-16)25-20(17)26(21)15-8-3-1-4-9-15/h1-14H
InChIKeyMGVJVDZANDZGJJ-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.70
Rot. Bonds4

About 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one

2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233328) has the molecular formula C22H14N4O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3233328
Molecular FormulaC22H14N4O2S
Molecular Weight398.45 g/mol
Exact Mass398.08
IUPAC Name2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C22H14N4O2S/c27-21-19(18-12-7-13-29-18)24-17-14-23-22(28-16-10-5-2-6-11-16)25-20(17)26(21)15-8-3-1-4-9-15/h1-14H
InChIKeyMGVJVDZANDZGJJ-UHFFFAOYSA-N
XLogP4.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-Methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232597
2-Methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232612
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3232765
2-(Ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
CID 3232773
6-Methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232833
3-[2-(3-Chlorophenoxy)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile
CID 3232974
8-[(3-Methoxyphenyl)methyl]-2-phenylmethoxy-6-thiophen-2-ylpteridin-7-one
CID 3233009
8-[(3-Methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
CID 3233126
2-Anilino-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233141
6-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233364
2-Phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233718
2-(Ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
CID 3233741

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one (CID 3233328) is 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one is O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1-c1ccccc1.
What is the InChIKey of 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is MGVJVDZANDZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2S/c27-21-19(18-12-7-13-29-18)24-17-14-23-22(28-16-10-5-2-6-11-16)25-20(17)26(21)15-8-3-1-4-9-15/h1-14H.
What are the key properties of 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 398.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).