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

C12H9ClN4O2 — CID 102212998

IUPAC7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C
InChIInChI=1S/C12H9ClN4O2/c1-5-3-8-7(4-6(5)13)14-9-10(17(8)2)15-12(19)16-11(9)18/h3-4H,1-2H3,(H,16,18,19)
InChIKeyUQISXUBQTJWPDV-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.08
Rot. Bonds

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

7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 102212998) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID102212998
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C
InChIInChI=1S/C12H9ClN4O2/c1-5-3-8-7(4-6(5)13)14-9-10(17(8)2)15-12(19)16-11(9)18/h3-4H,1-2H3,(H,16,18,19)
InChIKeyUQISXUBQTJWPDV-UHFFFAOYSA-N
XLogP1.08
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten
CID 59963690
7,10-dimethyl-2,4-dioxobenzo[g]pteridine-8-carbonyl chloride
CID 20674189
8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 10490335
7-(1-chloropentan-3-yl)-8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 23529088
7,8,10-trimethyl-4-sulfanylidenebenzo[g]pteridin-2-one
CID 102221390
8-chloro-7-methyl-10-[2-[(4-methylphenyl)methylamino]ethyl]benzo[g]pteridine-2,4-dione
CID 143941765
8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione
CID 625871
7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione
CID 102221386
8-(2-bromoacetyl)-10-methylbenzo[g]pteridine-2,4-dione
CID 14586353
8-amino-7,10-dimethylbenzo[g]pteridine-2,4-dione;8-[bis(2-chloroethyl)amino]-7,10-dimethylbenzo[g]pteridine-2,4-dione;oxirane
CID 157246364
10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 89311042
7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione
CID 166558328

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione (CID 102212998) is 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C.
What is the InChIKey of 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is UQISXUBQTJWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c1-5-3-8-7(4-6(5)13)14-9-10(17(8)2)15-12(19)16-11(9)18/h3-4H,1-2H3,(H,16,18,19).
What are the key properties of 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione?
7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 276.68 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 102212998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).