8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one

C23H22N4O2 — CID 3235492

IUPAC8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccccc1CCn1c(=O)c(CCc2ccccc2)nc2cncnc21
InChIInChI=1S/C23H22N4O2/c1-29-21-10-6-5-9-18(21)13-14-27-22-20(15-24-16-25-22)26-19(23(27)28)12-11-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
InChIKeyIBAYTVWKIGBFLE-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.22
Rot. Bonds7

About 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one

8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3235492) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one
PubChem CID3235492
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccccc1CCn1c(=O)c(CCc2ccccc2)nc2cncnc21
InChIInChI=1S/C23H22N4O2/c1-29-21-10-6-5-9-18(21)13-14-27-22-20(15-24-16-25-22)26-19(23(27)28)12-11-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
InChIKeyIBAYTVWKIGBFLE-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

Analyze 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one with MolForge

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Related Compounds

6-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
CID 3235190
8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one
CID 3232696
2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
CID 3234696
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
CID 113219800
3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 106261885
3-[(2-methoxyphenyl)methyl]-1-phenacylquinoxalin-2-one
CID 23961183
3-[2-(2-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17271636
2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3234630
9-[2-(4-chlorophenyl)ethyl]-8-(3,4,5-trimethoxyphenyl)sulfanylpurine
CID 141194549
1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 106261741
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one (CID 3235492) is 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one is COc1ccccc1CCn1c(=O)c(CCc2ccccc2)nc2cncnc21.
What is the InChIKey of 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is IBAYTVWKIGBFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-21-10-6-5-9-18(21)13-14-27-22-20(15-24-16-25-22)26-19(23(27)28)12-11-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one?
8-[2-(2-methoxyphenyl)ethyl]-6-(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 8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3235492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).