3,10-dihexylbenzo[g]pteridine-2,4-dione

C22H30N4O2 — CID 11783901

IUPAC3,10-dihexylbenzo[g]pteridine-2,4-dione
SMILESCCCCCCn1c(=O)nc2n(CCCCCC)c3ccccc3nc-2c1=O
InChIInChI=1S/C22H30N4O2/c1-3-5-7-11-15-25-18-14-10-9-13-17(18)23-19-20(25)24-22(28)26(21(19)27)16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyNYUBVDVPHBHYJB-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.22
Rot. Bonds10

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

3,10-dihexylbenzo[g]pteridine-2,4-dione (PubChem CID 11783901) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3,10-dihexylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name3,10-dihexylbenzo[g]pteridine-2,4-dione
PubChem CID11783901
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3,10-dihexylbenzo[g]pteridine-2,4-dione
SMILESCCCCCCn1c(=O)nc2n(CCCCCC)c3ccccc3nc-2c1=O
InChIInChI=1S/C22H30N4O2/c1-3-5-7-11-15-25-18-14-10-9-13-17(18)23-19-20(25)24-22(28)26(21(19)27)16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyNYUBVDVPHBHYJB-UHFFFAOYSA-N
XLogP4.22
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.22
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

10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
CID 14430190
4-[2,4-dioxo-3-(4-sulfobutyl)benzo[g]pteridin-10-yl]butane-1-sulfonic acid
CID 132540227
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
3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
CID 134852171
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
3-(6-iodohexyl)-10-phenylbenzo[g]pteridine-2,4-dione
CID 14873496
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135

Frequently Asked Questions

What is the IUPAC name of 3,10-dihexylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 3,10-dihexylbenzo[g]pteridine-2,4-dione (CID 11783901) is 3,10-dihexylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 3,10-dihexylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 3,10-dihexylbenzo[g]pteridine-2,4-dione is CCCCCCn1c(=O)nc2n(CCCCCC)c3ccccc3nc-2c1=O.
What is the InChIKey of 3,10-dihexylbenzo[g]pteridine-2,4-dione?
The InChIKey is NYUBVDVPHBHYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-5-7-11-15-25-18-14-10-9-13-17(18)23-19-20(25)24-22(28)26(21(19)27)16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 3,10-dihexylbenzo[g]pteridine-2,4-dione?
3,10-dihexylbenzo[g]pteridine-2,4-dione has a molecular weight of 382.51 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dihexylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 11783901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).