10-hexyl-3-methylbenzo[g]pteridine-2,4-dione

C17H20N4O2 — CID 14430190

IUPAC10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
SMILESCCCCCCn1c2nc(=O)n(C)c(=O)c-2nc2ccccc21
InChIInChI=1S/C17H20N4O2/c1-3-4-5-8-11-21-13-10-7-6-9-12(13)18-14-15(21)19-17(23)20(2)16(14)22/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyLKNDYWKKRUPDNL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds5

About 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione

10-hexyl-3-methylbenzo[g]pteridine-2,4-dione (PubChem CID 14430190) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
PubChem CID14430190
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
SMILESCCCCCCn1c2nc(=O)n(C)c(=O)c-2nc2ccccc21
InChIInChI=1S/C17H20N4O2/c1-3-4-5-8-11-21-13-10-7-6-9-12(13)18-14-15(21)19-17(23)20(2)16(14)22/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyLKNDYWKKRUPDNL-UHFFFAOYSA-N
XLogP2.18
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
10-dodecylphenazin-2-one
CID 10570808
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
4-[2,4-dioxo-3-(4-sulfobutyl)benzo[g]pteridin-10-yl]butane-1-sulfonic acid
CID 132540227
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
CID 134852171
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183

Frequently Asked Questions

What is the IUPAC name of 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione (CID 14430190) is 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione is CCCCCCn1c2nc(=O)n(C)c(=O)c-2nc2ccccc21.
What is the InChIKey of 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione?
The InChIKey is LKNDYWKKRUPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-4-5-8-11-21-13-10-7-6-9-12(13)18-14-15(21)19-17(23)20(2)16(14)22/h6-7,9-10H,3-5,8,11H2,1-2H3.
What are the key properties of 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione?
10-hexyl-3-methylbenzo[g]pteridine-2,4-dione has a molecular weight of 312.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hexyl-3-methylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 14430190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).