6-bromo-1-pentylquinazoline-2,4-dione

C13H15BrN2O2 — CID 141462501

IUPAC6-bromo-1-pentylquinazoline-2,4-dione
SMILESCCCCCn1c(=O)[nH]c(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O2/c1-2-3-4-7-16-11-6-5-9(14)8-10(11)12(17)15-13(16)18/h5-6,8H,2-4,7H2,1H3,(H,15,17,18)
InChIKeyWOHZZZVWRUUBBU-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.64
Rot. Bonds4

About 6-bromo-1-pentylquinazoline-2,4-dione

6-bromo-1-pentylquinazoline-2,4-dione (PubChem CID 141462501) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-1-pentylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-1-pentylquinazoline-2,4-dione
PubChem CID141462501
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name6-bromo-1-pentylquinazoline-2,4-dione
SMILESCCCCCn1c(=O)[nH]c(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O2/c1-2-3-4-7-16-11-6-5-9(14)8-10(11)12(17)15-13(16)18/h5-6,8H,2-4,7H2,1H3,(H,15,17,18)
InChIKeyWOHZZZVWRUUBBU-UHFFFAOYSA-N
XLogP2.64
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-10-butylacridin-9-one
CID 86036844
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
4-dodecylbenzo[f]quinazoline-1,3-dione
CID 59194270
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
6-bromo-3-pentyl-1H-benzimidazole-2-thione
CID 43659875
2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
CID 56851506
1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine
CID 101382330
3-butyl-6-methyl-1H-benzimidazol-2-one
CID 139627859
7-bromo-3-(4-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 154768685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
5-acetyl-3-hexyl-1H-benzimidazol-2-one
CID 101435534
1-(5-chloropentyl)quinazoline-2,4-dione
CID 22449700

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-pentylquinazoline-2,4-dione?
The IUPAC name of 6-bromo-1-pentylquinazoline-2,4-dione (CID 141462501) is 6-bromo-1-pentylquinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-1-pentylquinazoline-2,4-dione?
The canonical SMILES for 6-bromo-1-pentylquinazoline-2,4-dione is CCCCCn1c(=O)[nH]c(=O)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-pentylquinazoline-2,4-dione?
The InChIKey is WOHZZZVWRUUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-2-3-4-7-16-11-6-5-9(14)8-10(11)12(17)15-13(16)18/h5-6,8H,2-4,7H2,1H3,(H,15,17,18).
What are the key properties of 6-bromo-1-pentylquinazoline-2,4-dione?
6-bromo-1-pentylquinazoline-2,4-dione has a molecular weight of 311.18 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-pentylquinazoline-2,4-dione is sourced from PubChem (CID 141462501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).