6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one

C17H13BrIN3O — CID 126311780

IUPAC6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(I)cc1
InChIInChI=1S/C17H13BrIN3O/c1-2-16-21-15-8-5-12(18)9-14(15)17(23)22(16)20-10-11-3-6-13(19)7-4-11/h3-10H,2H2,1H3
InChIKeyOAKXZAWSBHMDDT-UHFFFAOYSA-N
MW482.12 g/mol
LogP4.21
Rot. Bonds3

About 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one

6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one (PubChem CID 126311780) has the molecular formula C17H13BrIN3O and a molecular weight of 482.12 g/mol. Its IUPAC name is 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one
PubChem CID126311780
Molecular FormulaC17H13BrIN3O
Molecular Weight482.12 g/mol
Exact Mass480.93
IUPAC Name6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(I)cc1
InChIInChI=1S/C17H13BrIN3O/c1-2-16-21-15-8-5-12(18)9-14(15)17(23)22(16)20-10-11-3-6-13(19)7-4-11/h3-10H,2H2,1H3
InChIKeyOAKXZAWSBHMDDT-UHFFFAOYSA-N
XLogP4.21
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.12
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-ethyl-3-[(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126310407
6-bromo-3-[(4-ethoxy-3-iodophenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126305575
6-bromo-2-ethyl-3-[(4-piperidin-1-ylphenyl)methylideneamino]quinazolin-4-one
CID 126290715
6-bromo-2-ethyl-3-[(3-iodo-4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126289377
2-[4-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-iodophenoxy]acetic acid
CID 126304376
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126328161
6-bromo-3-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126287108
6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126287570
6-bromo-3-[(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126298495
6-bromo-3-[(4-chloro-3-nitrophenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126282342
6-bromo-3-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126305633
6-bromo-2-butyl-3-[(4-chlorophenyl)methylideneamino]quinazolin-4-one
CID 126329248

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one (CID 126311780) is 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one is CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(I)cc1.
What is the InChIKey of 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one?
The InChIKey is OAKXZAWSBHMDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrIN3O/c1-2-16-21-15-8-5-12(18)9-14(15)17(23)22(16)20-10-11-3-6-13(19)7-4-11/h3-10H,2H2,1H3.
What are the key properties of 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one?
6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one has a molecular weight of 482.12 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126311780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).