2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

C23H22N4O3 — CID 3233022

IUPAC2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)c1
InChIInChI=1S/C23H22N4O3/c1-29-18-10-6-9-17(13-18)15-27-21-20(14-24-23(26-21)30-2)25-19(22(27)28)12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyHISQMAUZTVMJJO-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.04
Rot. Bonds7

About 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233022) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233022
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)c1
InChIInChI=1S/C23H22N4O3/c1-29-18-10-6-9-17(13-18)15-27-21-20(14-24-23(26-21)30-2)25-19(22(27)28)12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyHISQMAUZTVMJJO-UHFFFAOYSA-N
XLogP3.04
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (CID 3233022) is 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)c1.
What is the InChIKey of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is HISQMAUZTVMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-18-10-6-9-17(13-18)15-27-21-20(14-24-23(26-21)30-2)25-19(22(27)28)12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12,15H2,1-2H3.
What are the key properties of 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 402.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).