2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one

C24H20ClN5O3 — CID 3232986

IUPAC2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C24H20ClN5O3/c1-29-14-18(17-8-3-4-9-20(17)29)21-23(31)30(10-11-32-2)22-19(27-21)13-26-24(28-22)33-16-7-5-6-15(25)12-16/h3-9,12-14H,10-11H2,1-2H3
InChIKeyHDYLUQPADNVNQG-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.44
Rot. Bonds6

About 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one

2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one (PubChem CID 3232986) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one
PubChem CID3232986
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC Name2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(Oc3cccc(Cl)c3)nc21
InChIInChI=1S/C24H20ClN5O3/c1-29-14-18(17-8-3-4-9-20(17)29)21-23(31)30(10-11-32-2)22-19(27-21)13-26-24(28-22)33-16-7-5-6-15(25)12-16/h3-9,12-14H,10-11H2,1-2H3
InChIKeyHDYLUQPADNVNQG-UHFFFAOYSA-N
XLogP4.44
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one?
The IUPAC name of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one (CID 3232986) is 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one?
The canonical SMILES for 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one is COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(Oc3cccc(Cl)c3)nc21.
What is the InChIKey of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one?
The InChIKey is HDYLUQPADNVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c1-29-14-18(17-8-3-4-9-20(17)29)21-23(31)30(10-11-32-2)22-19(27-21)13-26-24(28-22)33-16-7-5-6-15(25)12-16/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one?
2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(1-methylindol-3-yl)pteridin-7-one has a molecular weight of 461.91 g/mol, XLogP of 4.44, 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-(1-methylindol-3-yl)pteridin-7-one is sourced from PubChem (CID 3232986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).