10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione

C14H15N4O2+ — CID 56965958

IUPAC10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione
SMILESCC[n+]1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C14H14N4O2/c1-4-18-10-6-8(3)7(2)5-9(10)15-11-12(18)16-14(20)17-13(11)19/h5-6H,4H2,1-3H3,(H,17,19,20)/p+1
InChIKeyHGEKBZKUBJPXJT-UHFFFAOYSA-O
MW271.30 g/mol
LogP0.69
Rot. Bonds1

About 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione

10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione (PubChem CID 56965958) has the molecular formula C14H15N4O2+ and a molecular weight of 271.30 g/mol. Its IUPAC name is 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione.

Molecular Properties

Compound Name10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione
PubChem CID56965958
Molecular FormulaC14H15N4O2+
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione
SMILESCC[n+]1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C14H14N4O2/c1-4-18-10-6-8(3)7(2)5-9(10)15-11-12(18)16-14(20)17-13(11)19/h5-6H,4H2,1-3H3,(H,17,19,20)/p+1
InChIKeyHGEKBZKUBJPXJT-UHFFFAOYSA-O
XLogP0.69
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
The IUPAC name of 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione (CID 56965958) is 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione.
What is the SMILES notation for 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
The canonical SMILES for 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione is CC[n+]1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)[nH]c21.
What is the InChIKey of 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
The InChIKey is HGEKBZKUBJPXJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N4O2/c1-4-18-10-6-8(3)7(2)5-9(10)15-11-12(18)16-14(20)17-13(11)19/h5-6H,4H2,1-3H3,(H,17,19,20)/p+1.
What are the key properties of 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione has a molecular weight of 271.30 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione is sourced from PubChem (CID 56965958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).