6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one

C14H16Br2N2O — CID 156783706

IUPAC6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one
SMILESCCCC(Br)c1nc2ccc(Br)cc2c(=O)n1CC
InChIInChI=1S/C14H16Br2N2O/c1-3-5-11(16)13-17-12-7-6-9(15)8-10(12)14(19)18(13)4-2/h6-8,11H,3-5H2,1-2H3
InChIKeyRPYPRPBOIHVIIZ-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.41
Rot. Bonds4

About 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one

6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one (PubChem CID 156783706) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one
PubChem CID156783706
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one
SMILESCCCC(Br)c1nc2ccc(Br)cc2c(=O)n1CC
InChIInChI=1S/C14H16Br2N2O/c1-3-5-11(16)13-17-12-7-6-9(15)8-10(12)14(19)18(13)4-2/h6-8,11H,3-5H2,1-2H3
InChIKeyRPYPRPBOIHVIIZ-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one
CID 164617808
6-bromo-3-ethyl-2-[1-(3-methylpiperazin-1-yl)butyl]quinazolin-4-one
CID 156783667
6-bromo-3-ethyl-2-[(1R)-1-[(1R,3R)-3-methylcyclohexyl]butyl]quinazolin-4-one
CID 163907306
6-bromo-2-[(1S)-1-[(4S,7S)-1,7-dimethylazepan-4-yl]butyl]-3-ethylquinazolin-4-one
CID 166046863
6-bromo-3-ethyl-2-[(1S)-1-[(3S)-3-(hydroxymethyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 156783741
6-bromo-3-ethyl-2-[(1R)-1-[(3R)-3-(methoxymethyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 162424459
tert-butyl 4-[1-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)butyl]-3-oxopiperazine-1-carboxylate
CID 151340980
2-[6-bromo-2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butyl]-4-oxoquinazolin-3-yl]acetic acid
CID 163446105
6-bromo-3-ethyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 24649611
6-bromo-2-[(2R)-butan-2-yl]-3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylideneamino]quinazolin-4-one
CID 126326574
6-bromo-3-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 37143581
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
CID 18078900

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one?
The IUPAC name of 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one (CID 156783706) is 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one.
What is the SMILES notation for 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one?
The canonical SMILES for 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one is CCCC(Br)c1nc2ccc(Br)cc2c(=O)n1CC.
What is the InChIKey of 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one?
The InChIKey is RPYPRPBOIHVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-3-5-11(16)13-17-12-7-6-9(15)8-10(12)14(19)18(13)4-2/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one?
6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one has a molecular weight of 388.10 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one is sourced from PubChem (CID 156783706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).