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

C22H22N4O2 — CID 53492640

IUPAC7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
SMILESCc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C22H22N4O2/c1-13-6-8-16(9-7-13)5-4-10-26-18-12-15(3)14(2)11-17(18)23-19-20(26)24-22(28)25-21(19)27/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,27,28)
InChIKeyXAUJOZYUVORCGO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.14
Rot. Bonds4

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

7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione (PubChem CID 53492640) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
PubChem CID53492640
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
SMILESCc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C22H22N4O2/c1-13-6-8-16(9-7-13)5-4-10-26-18-12-15(3)14(2)11-17(18)23-19-20(26)24-22(28)25-21(19)27/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,27,28)
InChIKeyXAUJOZYUVORCGO-UHFFFAOYSA-N
XLogP3.14
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.14
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 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione (CID 53492640) is 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione is Cc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)cc1.
What is the InChIKey of 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
The InChIKey is XAUJOZYUVORCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-6-8-16(9-7-13)5-4-10-26-18-12-15(3)14(2)11-17(18)23-19-20(26)24-22(28)25-21(19)27/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,27,28).
What are the key properties of 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 53492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).