7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione

C21H19ClN4O2 — CID 176777977

IUPAC7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccccc1
InChIInChI=1S/C21H19ClN4O2/c1-2-14-11-17-16(12-15(14)22)23-18-19(24-21(28)25-20(18)27)26(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,25,27,28)
InChIKeyCTIFCNPFMJFRTL-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.43
Rot. Bonds5

About 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione

7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione (PubChem CID 176777977) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
PubChem CID176777977
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
SMILESCCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccccc1
InChIInChI=1S/C21H19ClN4O2/c1-2-14-11-17-16(12-15(14)22)23-18-19(24-21(28)25-20(18)27)26(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,25,27,28)
InChIKeyCTIFCNPFMJFRTL-UHFFFAOYSA-N
XLogP3.43
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione (CID 176777977) is 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione is CCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccccc1.
What is the InChIKey of 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The InChIKey is CTIFCNPFMJFRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-2-14-11-17-16(12-15(14)22)23-18-19(24-21(28)25-20(18)27)26(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,25,27,28).
What are the key properties of 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione has a molecular weight of 394.86 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 176777977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).