8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione

C13H11ClN4O2 — CID 625871

IUPAC8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1Cl
InChIInChI=1S/C13H11ClN4O2/c1-6-4-8-9(5-7(6)14)17(2)11-10(15-8)12(19)18(3)13(20)16-11/h4-5H,1-3H3
InChIKeyIWRRDKABNZUMPJ-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.09
Rot. Bonds

About 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione

8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione (PubChem CID 625871) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione
PubChem CID625871
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1Cl
InChIInChI=1S/C13H11ClN4O2/c1-6-4-8-9(5-7(6)14)17(2)11-10(15-8)12(19)18(3)13(20)16-11/h4-5H,1-3H3
InChIKeyIWRRDKABNZUMPJ-UHFFFAOYSA-N
XLogP1.09
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione (CID 625871) is 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1Cl.
What is the InChIKey of 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is IWRRDKABNZUMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-6-4-8-9(5-7(6)14)17(2)11-10(15-8)12(19)18(3)13(20)16-11/h4-5H,1-3H3.
What are the key properties of 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione?
8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 290.71 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 625871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).