8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one

C21H18N4O3 — CID 3235277

IUPAC8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(Oc4ccccc4)nc32)c1
InChIInChI=1S/C21H18N4O3/c1-14-20(26)25(13-15-7-6-10-17(11-15)27-2)19-18(23-14)12-22-21(24-19)28-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyFPEHNUVOQMINHG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.34
Rot. Bonds5

About 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one

8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one (PubChem CID 3235277) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one
PubChem CID3235277
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(Oc4ccccc4)nc32)c1
InChIInChI=1S/C21H18N4O3/c1-14-20(26)25(13-15-7-6-10-17(11-15)27-2)19-18(23-14)12-22-21(24-19)28-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyFPEHNUVOQMINHG-UHFFFAOYSA-N
XLogP3.34
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235243
2-(4-methoxyphenoxy)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234609
8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one
CID 11515116
8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
CID 3233795
2-[3-(9-benzyl-8-methylpurin-2-yl)oxyphenyl]guanidine
CID 140996965
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3234630
8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpteridin-7-one
CID 3235318
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234895
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one (CID 3235277) is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one is COc1cccc(Cn2c(=O)c(C)nc3cnc(Oc4ccccc4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one?
The InChIKey is FPEHNUVOQMINHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-20(26)25(13-15-7-6-10-17(11-15)27-2)19-18(23-14)12-22-21(24-19)28-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one?
8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one has a molecular weight of 374.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one is sourced from PubChem (CID 3235277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).