2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one

C18H17BrN2O2 — CID 58601638

IUPAC2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
SMILESCCOc1ccc(-n2c(C(C)Br)nc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-3-23-14-10-8-13(9-11-14)21-17(12(2)19)20-16-7-5-4-6-15(16)18(21)22/h4-12H,3H2,1-2H3
InChIKeyRKMKTXCXWJGGIG-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.24
Rot. Bonds4

About 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one

2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one (PubChem CID 58601638) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
PubChem CID58601638
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
SMILESCCOc1ccc(-n2c(C(C)Br)nc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-3-23-14-10-8-13(9-11-14)21-17(12(2)19)20-16-7-5-4-6-15(16)18(21)22/h4-12H,3H2,1-2H3
InChIKeyRKMKTXCXWJGGIG-UHFFFAOYSA-N
XLogP4.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
CID 7201737
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42721644
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide
CID 42721625
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylnaphthalene-1-sulfonamide
CID 42721486
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42721505
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 42721452
ethyl 4-[benzyl-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 5161627
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one (CID 58601638) is 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one is CCOc1ccc(-n2c(C(C)Br)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one?
The InChIKey is RKMKTXCXWJGGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-3-23-14-10-8-13(9-11-14)21-17(12(2)19)20-16-7-5-4-6-15(16)18(21)22/h4-12H,3H2,1-2H3.
What are the key properties of 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one?
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one has a molecular weight of 373.25 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 58601638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).