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

C14H13ClN4O3 — CID 166558308

IUPAC7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCO
InChIInChI=1S/C14H13ClN4O3/c1-2-7-5-10-9(6-8(7)15)16-11-12(19(10)3-4-20)17-14(22)18-13(11)21/h5-6,20H,2-4H2,1H3,(H,18,21,22)
InChIKeyVWVGJZKRRWIVQO-UHFFFAOYSA-N
MW320.74 g/mol
LogP0.79
Rot. Bonds3

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

7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione (PubChem CID 166558308) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione
PubChem CID166558308
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCO
InChIInChI=1S/C14H13ClN4O3/c1-2-7-5-10-9(6-8(7)15)16-11-12(19(10)3-4-20)17-14(22)18-13(11)21/h5-6,20H,2-4H2,1H3,(H,18,21,22)
InChIKeyVWVGJZKRRWIVQO-UHFFFAOYSA-N
XLogP0.79
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione (CID 166558308) is 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione is CCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCO.
What is the InChIKey of 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione?
The InChIKey is VWVGJZKRRWIVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-2-7-5-10-9(6-8(7)15)16-11-12(19(10)3-4-20)17-14(22)18-13(11)21/h5-6,20H,2-4H2,1H3,(H,18,21,22).
What are the key properties of 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione?
7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione has a molecular weight of 320.74 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-ethyl-10-(2-hydroxyethyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 166558308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).