8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one

C24H21N5O2 — CID 3234832

IUPAC8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOc1ccccc1CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cncnc21
InChIInChI=1S/C24H21N5O2/c1-28-14-18(17-8-4-5-9-20(17)28)22-24(30)29(23-19(27-22)13-25-15-26-23)12-11-16-7-3-6-10-21(16)31-2/h3-10,13-15H,11-12H2,1-2H3
InChIKeyPLHBQFNQKOFFFI-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.60
Rot. Bonds5

About 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one

8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one (PubChem CID 3234832) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one.

Molecular Properties

Compound Name8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one
PubChem CID3234832
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOc1ccccc1CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cncnc21
InChIInChI=1S/C24H21N5O2/c1-28-14-18(17-8-4-5-9-20(17)28)22-24(30)29(23-19(27-22)13-25-15-26-23)12-11-16-7-3-6-10-21(16)31-2/h3-10,13-15H,11-12H2,1-2H3
InChIKeyPLHBQFNQKOFFFI-UHFFFAOYSA-N
XLogP3.60
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The IUPAC name of 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one (CID 3234832) is 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one.
What is the SMILES notation for 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The canonical SMILES for 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one is COc1ccccc1CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cncnc21.
What is the InChIKey of 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The InChIKey is PLHBQFNQKOFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-28-14-18(17-8-4-5-9-20(17)28)22-24(30)29(23-19(27-22)13-25-15-26-23)12-11-16-7-3-6-10-21(16)31-2/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one?
8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one has a molecular weight of 411.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindol-3-yl)pteridin-7-one is sourced from PubChem (CID 3234832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).