6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one

C25H20BrCl2N3O3 — CID 126310988

IUPAC6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C25H20BrCl2N3O3/c1-3-24-30-21-8-6-17(26)11-19(21)25(32)31(24)29-13-15-4-9-22(23(10-15)33-2)34-14-16-5-7-18(27)12-20(16)28/h4-13H,3,14H2,1-2H3
InChIKeyLEUJDXMAQZEKNA-UHFFFAOYSA-N
MW561.26 g/mol
LogP6.50
Rot. Bonds7

About 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one

6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one (PubChem CID 126310988) has the molecular formula C25H20BrCl2N3O3 and a molecular weight of 561.26 g/mol. Its IUPAC name is 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one
PubChem CID126310988
Molecular FormulaC25H20BrCl2N3O3
Molecular Weight561.26 g/mol
Exact Mass559.01
IUPAC Name6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C25H20BrCl2N3O3/c1-3-24-30-21-8-6-17(26)11-19(21)25(32)31(24)29-13-15-4-9-22(23(10-15)33-2)34-14-16-5-7-18(27)12-20(16)28/h4-13H,3,14H2,1-2H3
InChIKeyLEUJDXMAQZEKNA-UHFFFAOYSA-N
XLogP6.50
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.26
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-[(2S)-butan-2-yl]-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126328297
6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126313558
6-bromo-3-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126307778
6-bromo-2-ethyl-3-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]quinazolin-4-one
CID 126291094
2-[4-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 126287659
6-bromo-3-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126294160
6-bromo-3-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126326740
6-bromo-3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2S)-butan-2-yl]quinazolin-4-one
CID 126319084
6-bromo-2-ethyl-3-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126315157
6-bromo-3-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126297408
6-bromo-2-[(2S)-butan-2-yl]-3-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126337524
6-bromo-3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126308669

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one (CID 126310988) is 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one is CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one?
The InChIKey is LEUJDXMAQZEKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrCl2N3O3/c1-3-24-30-21-8-6-17(26)11-19(21)25(32)31(24)29-13-15-4-9-22(23(10-15)33-2)34-14-16-5-7-18(27)12-20(16)28/h4-13H,3,14H2,1-2H3.
What are the key properties of 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one?
6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one has a molecular weight of 561.26 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one is sourced from PubChem (CID 126310988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).