5-bromo-2-pentyl-3H-quinazolin-4-one

C13H15BrN2O — CID 150394937

IUPAC5-bromo-2-pentyl-3H-quinazolin-4-one
SMILESCCCCCc1nc2cccc(Br)c2c(=O)[nH]1
InChIInChI=1S/C13H15BrN2O/c1-2-3-4-8-11-15-10-7-5-6-9(14)12(10)13(17)16-11/h5-7H,2-4,8H2,1H3,(H,15,16,17)
InChIKeyHCMZBOVWSQGBHX-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.42
Rot. Bonds4

About 5-bromo-2-pentyl-3H-quinazolin-4-one

5-bromo-2-pentyl-3H-quinazolin-4-one (PubChem CID 150394937) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-pentyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-bromo-2-pentyl-3H-quinazolin-4-one
PubChem CID150394937
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-2-pentyl-3H-quinazolin-4-one
SMILESCCCCCc1nc2cccc(Br)c2c(=O)[nH]1
InChIInChI=1S/C13H15BrN2O/c1-2-3-4-8-11-15-10-7-5-6-9(14)12(10)13(17)16-11/h5-7H,2-4,8H2,1H3,(H,15,16,17)
InChIKeyHCMZBOVWSQGBHX-UHFFFAOYSA-N
XLogP3.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-fluoro-3H-quinazolin-4-one
CID 137190136
2-docosyl-1H-benzimidazole
CID 141189761
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
2-heptyl-4-oxo-3H-quinazoline-6-carboxylic acid
CID 135711228
3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid
CID 137289722
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
CID 54132901
6-benzoyl-2-heptadecyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137243514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pentyl-3H-quinazolin-4-one?
The IUPAC name of 5-bromo-2-pentyl-3H-quinazolin-4-one (CID 150394937) is 5-bromo-2-pentyl-3H-quinazolin-4-one.
What is the SMILES notation for 5-bromo-2-pentyl-3H-quinazolin-4-one?
The canonical SMILES for 5-bromo-2-pentyl-3H-quinazolin-4-one is CCCCCc1nc2cccc(Br)c2c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-pentyl-3H-quinazolin-4-one?
The InChIKey is HCMZBOVWSQGBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-3-4-8-11-15-10-7-5-6-9(14)12(10)13(17)16-11/h5-7H,2-4,8H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-pentyl-3H-quinazolin-4-one?
5-bromo-2-pentyl-3H-quinazolin-4-one has a molecular weight of 295.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pentyl-3H-quinazolin-4-one is sourced from PubChem (CID 150394937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).