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

C24H21N5O3 — CID 3233015

IUPAC8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one
SMILESCOCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C24H21N5O3/c1-28-15-18(17-10-6-7-11-20(17)28)21-23(30)29(12-13-31-2)22-19(26-21)14-25-24(27-22)32-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyLWRZQIJWZOEXKI-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.78
Rot. Bonds6

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

8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one (PubChem CID 3233015) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one
PubChem CID3233015
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one
SMILESCOCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C24H21N5O3/c1-28-15-18(17-10-6-7-11-20(17)28)21-23(30)29(12-13-31-2)22-19(26-21)14-25-24(27-22)32-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyLWRZQIJWZOEXKI-UHFFFAOYSA-N
XLogP3.78
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one (CID 3233015) is 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one is COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(Oc3ccccc3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one?
The InChIKey is LWRZQIJWZOEXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-28-15-18(17-10-6-7-11-20(17)28)21-23(30)29(12-13-31-2)22-19(26-21)14-25-24(27-22)32-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one?
8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one has a molecular weight of 427.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-6-(1-methylindol-3-yl)-2-phenoxypteridin-7-one is sourced from PubChem (CID 3233015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).