2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one

C23H16N4O2S — CID 3233718

IUPAC2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1
InChIInChI=1S/C23H16N4O2S/c28-22-20(16-8-3-1-4-9-16)25-19-14-24-23(29-17-10-5-2-6-11-17)26-21(19)27(22)15-18-12-7-13-30-18/h1-14H,15H2
InChIKeyTWVCKKGIHHEMBX-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.76
Rot. Bonds5

About 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one

2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233718) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233718
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC Name2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1
InChIInChI=1S/C23H16N4O2S/c28-22-20(16-8-3-1-4-9-16)25-19-14-24-23(29-17-10-5-2-6-11-17)26-21(19)27(22)15-18-12-7-13-30-18/h1-14H,15H2
InChIKeyTWVCKKGIHHEMBX-UHFFFAOYSA-N
XLogP4.76
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)thiophene-3-carboxamide
CID 25094198
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-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one
CID 3232690
6-(4-Fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
CID 3232713
3-(8-Methyl-7-oxo-2-phenoxypteridin-6-yl)benzonitrile
CID 3232735
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-(4-Methoxyphenoxy)-7-oxo-6-phenylpteridin-8-yl]propanenitrile
CID 3232924
3-[2-(3-Chlorophenoxy)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile
CID 3232974

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233718) is 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one is O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1.
What is the InChIKey of 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is TWVCKKGIHHEMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c28-22-20(16-8-3-1-4-9-16)25-19-14-24-23(29-17-10-5-2-6-11-17)26-21(19)27(22)15-18-12-7-13-30-18/h1-14H,15H2.
What are the key properties of 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 412.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).