2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one

C25H22Cl2N2O3 — CID 2298240

IUPAC2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCc1ccc(OCCOCCn2c(-c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22Cl2N2O3/c1-17-6-9-19(10-7-17)32-15-14-31-13-12-29-24(20-11-8-18(26)16-22(20)27)28-23-5-3-2-4-21(23)25(29)30/h2-11,16H,12-15H2,1H3
InChIKeyLIKDKECFPYVMJF-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.77
Rot. Bonds8

About 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one

2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one (PubChem CID 2298240) has the molecular formula C25H22Cl2N2O3 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one
PubChem CID2298240
Molecular FormulaC25H22Cl2N2O3
Molecular Weight469.37 g/mol
Exact Mass468.10
IUPAC Name2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCc1ccc(OCCOCCn2c(-c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22Cl2N2O3/c1-17-6-9-19(10-7-17)32-15-14-31-13-12-29-24(20-11-8-18(26)16-22(20)27)28-23-5-3-2-4-21(23)25(29)30/h2-11,16H,12-15H2,1H3
InChIKeyLIKDKECFPYVMJF-UHFFFAOYSA-N
XLogP5.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2299298
3-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3252987
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2014020
2-(4-chlorophenyl)-3-[3-(4-iodophenoxy)propyl]quinazolin-4-one
CID 3620665
3-[5-(2,5-dichlorophenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3650027
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 16987795
2-(2,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 1366169
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 7227057
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one (CID 2298240) is 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one is Cc1ccc(OCCOCCn2c(-c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one?
The InChIKey is LIKDKECFPYVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O3/c1-17-6-9-19(10-7-17)32-15-14-31-13-12-29-24(20-11-8-18(26)16-22(20)27)28-23-5-3-2-4-21(23)25(29)30/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one?
2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one has a molecular weight of 469.37 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one is sourced from PubChem (CID 2298240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).