1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione

C18H17BrN2O2 — CID 22449673

IUPAC1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(CCCCBr)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c19-12-6-7-13-20-16-11-5-4-10-15(16)17(22)21(18(20)23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyBPUZJRBMMWHSNU-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione

1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione (PubChem CID 22449673) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
PubChem CID22449673
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(CCCCBr)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c19-12-6-7-13-20-16-11-5-4-10-15(16)17(22)21(18(20)23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyBPUZJRBMMWHSNU-UHFFFAOYSA-N
XLogP3.33
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromobutyl)phenanthridin-6-one
CID 19382417
ethyl 2-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]benzoate
CID 22449897
ethyl 6-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]hexanoate
CID 22449662
methyl 1-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]cyclopentane-1-carboxylate
CID 22449627
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole
CID 71428014
1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one
CID 14043337
9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
CID 141391758
2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid
CID 14458947
3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione
CID 17337182
[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
CID 142738622
3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione
CID 10501753

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione?
The IUPAC name of 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione (CID 22449673) is 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione.
What is the SMILES notation for 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione?
The canonical SMILES for 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione is O=c1c2ccccc2n(CCCCBr)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione?
The InChIKey is BPUZJRBMMWHSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-12-6-7-13-20-16-11-5-4-10-15(16)17(22)21(18(20)23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione?
1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione has a molecular weight of 373.25 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione is sourced from PubChem (CID 22449673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).