2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one

C15H13ClN4O3 — CID 3233778

IUPAC2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C15H13ClN4O3/c1-22-6-5-20-13(21)9-17-12-8-18-15(19-14(12)20)23-11-4-2-3-10(16)7-11/h2-4,7-9H,5-6H2,1H3
InChIKeyBXGMZLQORCMYJB-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.28
Rot. Bonds5

About 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one

2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one (PubChem CID 3233778) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one
PubChem CID3233778
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C15H13ClN4O3/c1-22-6-5-20-13(21)9-17-12-8-18-15(19-14(12)20)23-11-4-2-3-10(16)7-11/h2-4,7-9H,5-6H2,1H3
InChIKeyBXGMZLQORCMYJB-UHFFFAOYSA-N
XLogP2.28
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2103434
3-[2-(4-Methoxyphenoxy)-7-oxopteridin-8-yl]propanenitrile
CID 3232620
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3232765
3-(7-Oxo-2-phenoxypteridin-8-yl)propanenitrile
CID 3232859
8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one
CID 3233023
3-[2-(3-Chlorophenoxy)-7-oxopteridin-8-yl]propanenitrile
CID 3233091
2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3233485
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
CID 3233566
2-(3-Chlorophenoxy)-8-cyclopropylpteridin-7-one
CID 3233591
8-Cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one
CID 3233697
8-Cyclopropyl-6-methyl-2-phenoxypteridin-7-one
CID 3233701
8-Cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
CID 3233795

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one?
The IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one (CID 3233778) is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one?
The canonical SMILES for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one is COCCn1c(=O)cnc2cnc(Oc3cccc(Cl)c3)nc21.
What is the InChIKey of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one?
The InChIKey is BXGMZLQORCMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-22-6-5-20-13(21)9-17-12-8-18-15(19-14(12)20)23-11-4-2-3-10(16)7-11/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one?
2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one has a molecular weight of 332.75 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one is sourced from PubChem (CID 3233778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).