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

C25H22Cl2N2O4 — CID 2299298

IUPAC2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCOc1ccccc1OCCOCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C25H22Cl2N2O4/c1-31-22-8-4-5-9-23(22)33-15-14-32-13-12-29-24(18-11-10-17(26)16-20(18)27)28-21-7-3-2-6-19(21)25(29)30/h2-11,16H,12-15H2,1H3
InChIKeyLSCLVCZUGNXKRP-UHFFFAOYSA-N
MW485.37 g/mol
LogP5.47
Rot. Bonds9

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

2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one (PubChem CID 2299298) has the molecular formula C25H22Cl2N2O4 and a molecular weight of 485.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
PubChem CID2299298
Molecular FormulaC25H22Cl2N2O4
Molecular Weight485.37 g/mol
Exact Mass484.10
IUPAC Name2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
SMILESCOc1ccccc1OCCOCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C25H22Cl2N2O4/c1-31-22-8-4-5-9-23(22)33-15-14-32-13-12-29-24(18-11-10-17(26)16-20(18)27)28-21-7-3-2-6-19(21)25(29)30/h2-11,16H,12-15H2,1H3
InChIKeyLSCLVCZUGNXKRP-UHFFFAOYSA-N
XLogP5.47
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2298240
3-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3252987
3-[5-(2,5-dichlorophenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3650027
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2014020
2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16987724
3-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3534114
2-(2,4-dichlorophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 16987782
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
2-(2,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 1366169
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747
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-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one (CID 2299298) is 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one is COc1ccccc1OCCOCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
The InChIKey is LSCLVCZUGNXKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O4/c1-31-22-8-4-5-9-23(22)33-15-14-32-13-12-29-24(18-11-10-17(26)16-20(18)27)28-21-7-3-2-6-19(21)25(29)30/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one?
2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one has a molecular weight of 485.37 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one is sourced from PubChem (CID 2299298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).