7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione

C24H26N4O2 — CID 88899615

IUPAC7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione
SMILESCCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1
InChIInChI=1S/C24H26N4O2/c1-4-7-18-14-20-19(13-16(18)3)25-21-22(26-24(30)27-23(21)29)28(20)11-6-10-17-9-5-8-15(2)12-17/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,27,29,30)
InChIKeyUKNWGYSGOJEJPI-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.79
Rot. Bonds6

About 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione

7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione (PubChem CID 88899615) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione
PubChem CID88899615
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione
SMILESCCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1
InChIInChI=1S/C24H26N4O2/c1-4-7-18-14-20-19(13-16(18)3)25-21-22(26-24(30)27-23(21)29)28(20)11-6-10-17-9-5-8-15(2)12-17/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,27,29,30)
InChIKeyUKNWGYSGOJEJPI-UHFFFAOYSA-N
XLogP3.79
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.79
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 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione (CID 88899615) is 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione is CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1.
What is the InChIKey of 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione?
The InChIKey is UKNWGYSGOJEJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-4-7-18-14-20-19(13-16(18)3)25-21-22(26-24(30)27-23(21)29)28(20)11-6-10-17-9-5-8-15(2)12-17/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,27,29,30).
What are the key properties of 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione?
7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione has a molecular weight of 402.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 88899615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).