10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione

C18H14N4O3 — CID 91937758

IUPAC10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
SMILESCOc1ccccc1Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21
InChIInChI=1S/C18H14N4O3/c1-25-14-9-5-2-6-11(14)10-22-13-8-4-3-7-12(13)19-15-16(22)20-18(24)21-17(15)23/h2-9H,10H2,1H3,(H,21,23,24)
InChIKeyAWWWUNPSWOYLDO-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.64
Rot. Bonds3

About 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione

10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione (PubChem CID 91937758) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
PubChem CID91937758
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
SMILESCOc1ccccc1Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21
InChIInChI=1S/C18H14N4O3/c1-25-14-9-5-2-6-11(14)10-22-13-8-4-3-7-12(13)19-15-16(22)20-18(24)21-17(15)23/h2-9H,10H2,1H3,(H,21,23,24)
InChIKeyAWWWUNPSWOYLDO-UHFFFAOYSA-N
XLogP1.64
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[2-[(2-methoxyphenyl)methylamino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 50907637
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000268
7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane
CID 143941805
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione
CID 19980277
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
(4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40841160
(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906

Frequently Asked Questions

What is the IUPAC name of 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione (CID 91937758) is 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione is COc1ccccc1Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21.
What is the InChIKey of 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione?
The InChIKey is AWWWUNPSWOYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-25-14-9-5-2-6-11(14)10-22-13-8-4-3-7-12(13)19-15-16(22)20-18(24)21-17(15)23/h2-9H,10H2,1H3,(H,21,23,24).
What are the key properties of 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione?
10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione has a molecular weight of 334.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 91937758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).