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

C24H26N4O2 — CID 89398754

IUPAC7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
SMILESCc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C(C)(C)C)ccc32)cc1
InChIInChI=1S/C24H26N4O2/c1-15-7-9-16(10-8-15)6-5-13-28-19-12-11-17(24(2,3)4)14-18(19)25-20-21(28)26-23(30)27-22(20)29/h7-12,14H,5-6,13H2,1-4H3,(H,27,29,30)
InChIKeyGJJFDPYVHAKJHM-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.82
Rot. Bonds4

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

7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione (PubChem CID 89398754) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
PubChem CID89398754
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
SMILESCc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C(C)(C)C)ccc32)cc1
InChIInChI=1S/C24H26N4O2/c1-15-7-9-16(10-8-15)6-5-13-28-19-12-11-17(24(2,3)4)14-18(19)25-20-21(28)26-23(30)27-22(20)29/h7-12,14H,5-6,13H2,1-4H3,(H,27,29,30)
InChIKeyGJJFDPYVHAKJHM-UHFFFAOYSA-N
XLogP3.82
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.82
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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Related Compounds

7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492640
10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
CID 53492166
7-butan-2-yl-10-[3-(4-chlorophenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492031
7-(7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)heptanoic acid
CID 87168225
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
10-[3-(3-fluoro-5-methylphenyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88899989
8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 53491690
7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 176777977
10-[3-[4-(3-amino-3-methylbutoxy)phenyl]propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88899652
8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 53492508
7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione
CID 88899615
3-[10-[3-(4-chlorophenyl)propyl]-7-methyl-2,4-dioxobenzo[g]pteridin-8-yl]propanamide
CID 89396216

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione (CID 89398754) is 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione is Cc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C(C)(C)C)ccc32)cc1.
What is the InChIKey of 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
The InChIKey is GJJFDPYVHAKJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-7-9-16(10-8-15)6-5-13-28-19-12-11-17(24(2,3)4)14-18(19)25-20-21(28)26-23(30)27-22(20)29/h7-12,14H,5-6,13H2,1-4H3,(H,27,29,30).
What are the key properties of 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione?
7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione has a molecular weight of 402.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 89398754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).