3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione

C19H15BrN4O2 — CID 10501753

IUPAC3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3ccccc3)c3ccccc3nc-2c(=O)n1CCCBr
InChIInChI=1S/C19H15BrN4O2/c20-11-6-12-23-18(25)16-17(22-19(23)26)24(13-7-2-1-3-8-13)15-10-5-4-9-14(15)21-16/h1-5,7-10H,6,11-12H2
InChIKeyVBUAKIMCJTVWNH-UHFFFAOYSA-N
MW411.26 g/mol
LogP2.83
Rot. Bonds4

About 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione

3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione (PubChem CID 10501753) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione
PubChem CID10501753
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC Name3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3ccccc3)c3ccccc3nc-2c(=O)n1CCCBr
InChIInChI=1S/C19H15BrN4O2/c20-11-6-12-23-18(25)16-17(22-19(23)26)24(13-7-2-1-3-8-13)15-10-5-4-9-14(15)21-16/h1-5,7-10H,6,11-12H2
InChIKeyVBUAKIMCJTVWNH-UHFFFAOYSA-N
XLogP2.83
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-iodohexyl)-10-phenylbenzo[g]pteridine-2,4-dione
CID 14873496
3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
[(E)-2-[4-[(2,4-dioxo-10-phenylbenzo[g]pteridin-3-yl)methyl]phenyl]ethenyl]phosphonic acid
CID 132519081
4-[2,4-dioxo-3-(4-sulfobutyl)benzo[g]pteridin-10-yl]butane-1-sulfonic acid
CID 132540227
3-butyl-10-phenylpyrimido[4,5-b]quinoline-2,4-dione
CID 7551758
3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione
CID 15192393
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3-[2-oxo-2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)ethyl]-10-phenylbenzo[g]pteridine-2,4-dione
CID 136734332
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione (CID 10501753) is 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione is O=c1nc2n(-c3ccccc3)c3ccccc3nc-2c(=O)n1CCCBr.
What is the InChIKey of 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione?
The InChIKey is VBUAKIMCJTVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c20-11-6-12-23-18(25)16-17(22-19(23)26)24(13-7-2-1-3-8-13)15-10-5-4-9-14(15)21-16/h1-5,7-10H,6,11-12H2.
What are the key properties of 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione?
3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione has a molecular weight of 411.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 10501753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).