10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione

C22H21FN4O2 — CID 53492166

IUPAC10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
SMILESCCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c1-2-4-15-8-11-18-17(13-15)24-19-20(25-22(29)26-21(19)28)27(18)12-3-5-14-6-9-16(23)10-7-14/h6-11,13H,2-5,12H2,1H3,(H,26,28,29)
InChIKeyCLRNVVCBWPWMGR-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.31
Rot. Bonds6

About 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione

10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione (PubChem CID 53492166) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
PubChem CID53492166
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
SMILESCCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c1-2-4-15-8-11-18-17(13-15)24-19-20(25-22(29)26-21(19)28)27(18)12-3-5-14-6-9-16(23)10-7-14/h6-11,13H,2-5,12H2,1H3,(H,26,28,29)
InChIKeyCLRNVVCBWPWMGR-UHFFFAOYSA-N
XLogP3.31
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione (CID 53492166) is 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione is CCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(F)cc1.
What is the InChIKey of 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
The InChIKey is CLRNVVCBWPWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-2-4-15-8-11-18-17(13-15)24-19-20(25-22(29)26-21(19)28)27(18)12-3-5-14-6-9-16(23)10-7-14/h6-11,13H,2-5,12H2,1H3,(H,26,28,29).
What are the key properties of 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione has a molecular weight of 392.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 53492166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).