6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one

C18H13ClN4O2S — CID 3233317

IUPAC6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccs3)c2n1
InChIInChI=1S/C18H13ClN4O2S/c1-25-18-20-9-14-16(22-18)23(10-13-3-2-8-26-13)17(24)15(21-14)11-4-6-12(19)7-5-11/h2-9H,10H2,1H3
InChIKeyIRCQMOMUBVKPBM-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.63
Rot. Bonds4

About 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one

6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233317) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233317
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccs3)c2n1
InChIInChI=1S/C18H13ClN4O2S/c1-25-18-20-9-14-16(22-18)23(10-13-3-2-8-26-13)17(24)15(21-14)11-4-6-12(19)7-5-11/h2-9H,10H2,1H3
InChIKeyIRCQMOMUBVKPBM-UHFFFAOYSA-N
XLogP3.63
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233317) is 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccs3)c2n1.
What is the InChIKey of 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is IRCQMOMUBVKPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c1-25-18-20-9-14-16(22-18)23(10-13-3-2-8-26-13)17(24)15(21-14)11-4-6-12(19)7-5-11/h2-9H,10H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 384.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methoxy-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).