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

C18H21ClN4O3 — CID 166558326

IUPAC7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)C
InChIInChI=1S/C18H21ClN4O3/c1-4-11-7-14-13(8-12(11)19)20-15-16(21-18(25)22-17(15)24)23(14)5-6-26-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,22,24,25)
InChIKeyIOHJEWFKBRNJIO-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.47
Rot. Bonds6

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

7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione (PubChem CID 166558326) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione
PubChem CID166558326
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)C
InChIInChI=1S/C18H21ClN4O3/c1-4-11-7-14-13(8-12(11)19)20-15-16(21-18(25)22-17(15)24)23(14)5-6-26-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,22,24,25)
InChIKeyIOHJEWFKBRNJIO-UHFFFAOYSA-N
XLogP2.47
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.47
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-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione (CID 166558326) is 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione is CCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)C.
What is the InChIKey of 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione?
The InChIKey is IOHJEWFKBRNJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-4-11-7-14-13(8-12(11)19)20-15-16(21-18(25)22-17(15)24)23(14)5-6-26-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,22,24,25).
What are the key properties of 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione?
7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione has a molecular weight of 376.84 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 166558326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).