2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one

C18H14N4O3S — CID 3234596

IUPAC2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)cc1
InChIInChI=1S/C18H14N4O3S/c1-24-12-7-5-11(6-8-12)22-16-13(10-19-18(21-16)25-2)20-15(17(22)23)14-4-3-9-26-14/h3-10H,1-2H3
InChIKeyMHWNSOYGUUHCHT-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.92
Rot. Bonds4

About 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one

2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3234596) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
PubChem CID3234596
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)cc1
InChIInChI=1S/C18H14N4O3S/c1-24-12-7-5-11(6-8-12)22-16-13(10-19-18(21-16)25-2)20-15(17(22)23)14-4-3-9-26-14/h3-10H,1-2H3
InChIKeyMHWNSOYGUUHCHT-UHFFFAOYSA-N
XLogP2.92
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one (CID 3234596) is 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one is COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)cc1.
What is the InChIKey of 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is MHWNSOYGUUHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-24-12-7-5-11(6-8-12)22-16-13(10-19-18(21-16)25-2)20-15(17(22)23)14-4-3-9-26-14/h3-10H,1-2H3.
What are the key properties of 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one?
2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 366.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3234596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).