6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one

C19H18BrN3O2 — CID 126287570

IUPAC6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
SMILESCCOc1cccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C19H18BrN3O2/c1-3-18-22-17-9-8-14(20)11-16(17)19(24)23(18)21-12-13-6-5-7-15(10-13)25-4-2/h5-12H,3-4H2,1-2H3
InChIKeyDETULMJPQBJYAR-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.00
Rot. Bonds5

About 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one

6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one (PubChem CID 126287570) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
PubChem CID126287570
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
SMILESCCOc1cccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C19H18BrN3O2/c1-3-18-22-17-9-8-14(20)11-16(17)19(24)23(18)21-12-13-6-5-7-15(10-13)25-4-2/h5-12H,3-4H2,1-2H3
InChIKeyDETULMJPQBJYAR-UHFFFAOYSA-N
XLogP4.00
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126306308
6-bromo-2-butyl-3-[[3-(2,2-dimethylpropoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126327572
6-bromo-3-[(4-ethoxy-3-iodophenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126305575
6-bromo-3-[(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126298495
6-bromo-3-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126332562
6-bromo-2-ethyl-3-[(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126310407
6-bromo-3-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126322038
6-bromo-3-[[3-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126316193
methyl 2-[3-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 126331456
6-bromo-3-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126332796
6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one
CID 126311780
6-bromo-2-tert-butyl-3-[[3-(2,2-dimethylpropoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126281519

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one (CID 126287570) is 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one is CCOc1cccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c1.
What is the InChIKey of 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one?
The InChIKey is DETULMJPQBJYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-3-18-22-17-9-8-14(20)11-16(17)19(24)23(18)21-12-13-6-5-7-15(10-13)25-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one?
6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one has a molecular weight of 400.28 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one is sourced from PubChem (CID 126287570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).