7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione

C19H23ClN4O3 — CID 166558328

IUPAC7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)(C)C
InChIInChI=1S/C19H23ClN4O3/c1-5-11-8-14-13(9-12(11)20)21-15-16(22-18(26)23-17(15)25)24(14)6-7-27-10-19(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,23,25,26)
InChIKeyMHJCGZKBLYTIMI-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.86
Rot. Bonds5

About 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione

7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione (PubChem CID 166558328) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione
PubChem CID166558328
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)(C)C
InChIInChI=1S/C19H23ClN4O3/c1-5-11-8-14-13(9-12(11)20)21-15-16(22-18(26)23-17(15)25)24(14)6-7-27-10-19(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,23,25,26)
InChIKeyMHJCGZKBLYTIMI-UHFFFAOYSA-N
XLogP2.86
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.86
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione (CID 166558328) is 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione is CCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)(C)C.
What is the InChIKey of 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione?
The InChIKey is MHJCGZKBLYTIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-5-11-8-14-13(9-12(11)20)21-15-16(22-18(26)23-17(15)25)24(14)6-7-27-10-19(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,23,25,26).
What are the key properties of 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione?
7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione has a molecular weight of 390.87 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 166558328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).