8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one

C21H18N4O2 — CID 3233989

IUPAC8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cncnc32)cc1
InChIInChI=1S/C21H18N4O2/c1-27-17-10-8-16(9-11-17)25-20-19(13-22-14-23-20)24-18(21(25)26)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3
InChIKeyQEGLPUPFRXDEMI-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.97
Rot. Bonds5

About 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one

8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233989) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233989
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cncnc32)cc1
InChIInChI=1S/C21H18N4O2/c1-27-17-10-8-16(9-11-17)25-20-19(13-22-14-23-20)24-18(21(25)26)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3
InChIKeyQEGLPUPFRXDEMI-UHFFFAOYSA-N
XLogP2.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Way 100635
CID 5684
Fcway
CID 10048892
p-(18F)MPPF
CID 5352127
[11C]Jway
CID 11834378
6-(2,6-Dichlorophenyl)-2-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327896
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
2,4-Disubstituted Pyrimidine 2g
CID 5329420
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648341
WAY 100635 hydrochloride
CID 104911
N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)cyclohexanecarboxamide hydrochloride
CID 44593709

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one (CID 3233989) is 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one is COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cncnc32)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is QEGLPUPFRXDEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-17-10-8-16(9-11-17)25-20-19(13-22-14-23-20)24-18(21(25)26)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 358.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).