2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one

C23H22N4O2 — CID 3232682

IUPAC2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one
SMILESCOc1ncc2nc(CCc3ccccc3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C23H22N4O2/c1-29-23-24-16-20-21(26-23)27(15-14-18-10-6-3-7-11-18)22(28)19(25-20)13-12-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyFHIOJCIEMHTMTL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.22
Rot. Bonds7

About 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one

2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one (PubChem CID 3232682) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one
PubChem CID3232682
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one
SMILESCOc1ncc2nc(CCc3ccccc3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C23H22N4O2/c1-29-23-24-16-20-21(26-23)27(15-14-18-10-6-3-7-11-18)22(28)19(25-20)13-12-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyFHIOJCIEMHTMTL-UHFFFAOYSA-N
XLogP3.22
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one (CID 3232682) is 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one is COc1ncc2nc(CCc3ccccc3)c(=O)n(CCc3ccccc3)c2n1.
What is the InChIKey of 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one?
The InChIKey is FHIOJCIEMHTMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-23-24-16-20-21(26-23)27(15-14-18-10-6-3-7-11-18)22(28)19(25-20)13-12-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one?
2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one has a molecular weight of 386.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,8-bis(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).