2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one

C19H15ClN4O3S — CID 3232765

IUPAC2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C19H15ClN4O3S/c1-26-8-7-24-17-14(22-16(18(24)25)15-6-3-9-28-15)11-21-19(23-17)27-13-5-2-4-12(20)10-13/h2-6,9-11H,7-8H2,1H3
InChIKeyVQRKNRSPFPTZQW-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.01
Rot. Bonds6

About 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one

2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3232765) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
PubChem CID3232765
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C19H15ClN4O3S/c1-26-8-7-24-17-14(22-16(18(24)25)15-6-3-9-28-15)11-21-19(23-17)27-13-5-2-4-12(20)10-13/h2-6,9-11H,7-8H2,1H3
InChIKeyVQRKNRSPFPTZQW-UHFFFAOYSA-N
XLogP4.01
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
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-Phenoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3233328
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
CID 3233566
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
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)pteridin-7-one
CID 3233778
8-(4-Methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
CID 3233814

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one (CID 3232765) is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one is COCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc21.
What is the InChIKey of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is VQRKNRSPFPTZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-26-8-7-24-17-14(22-16(18(24)25)15-6-3-9-28-15)11-21-19(23-17)27-13-5-2-4-12(20)10-13/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 414.87 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3232765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).