2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one

C23H18ClIN2O2 — CID 3620665

IUPAC2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc(I)cc1
InChIInChI=1S/C23H18ClIN2O2/c24-17-8-6-16(7-9-17)22-26-21-5-2-1-4-20(21)23(28)27(22)14-3-15-29-19-12-10-18(25)11-13-19/h1-2,4-13H,3,14-15H2
InChIKeyCLMPFNOOVIIGOH-UHFFFAOYSA-N
MW516.77 g/mol
LogP5.79
Rot. Bonds6

About 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one

2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one (PubChem CID 3620665) has the molecular formula C23H18ClIN2O2 and a molecular weight of 516.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one
PubChem CID3620665
Molecular FormulaC23H18ClIN2O2
Molecular Weight516.77 g/mol
Exact Mass516.01
IUPAC Name2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc(I)cc1
InChIInChI=1S/C23H18ClIN2O2/c24-17-8-6-16(7-9-17)22-26-21-5-2-1-4-20(21)23(28)27(22)14-3-15-29-19-12-10-18(25)11-13-19/h1-2,4-13H,3,14-15H2
InChIKeyCLMPFNOOVIIGOH-UHFFFAOYSA-N
XLogP5.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.77
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
2-(4-methoxyphenyl)-3-[5-(4-propan-2-ylphenoxy)pentyl]quinazolin-4-one
CID 2021024
3-[5-(2,5-dichlorophenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3650027
3-[6-(3,4-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2024284
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
[4-[4-oxo-3-[6-[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]hexyl]quinazolin-2-yl]phenyl] hydrogen sulfate
CID 171345321
2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2298240
3-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3534114
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one (CID 3620665) is 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc(I)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one?
The InChIKey is CLMPFNOOVIIGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClIN2O2/c24-17-8-6-16(7-9-17)22-26-21-5-2-1-4-20(21)23(28)27(22)14-3-15-29-19-12-10-18(25)11-13-19/h1-2,4-13H,3,14-15H2.
What are the key properties of 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one?
2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one has a molecular weight of 516.77 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one is sourced from PubChem (CID 3620665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).