6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one

C24H19Br2N3O2 — CID 126286380

IUPAC6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1ccc(COc2ccc(Br)cc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C24H19Br2N3O2/c1-15-3-5-17(6-4-15)14-31-23-10-8-19(25)11-18(23)13-27-29-16(2)28-22-9-7-20(26)12-21(22)24(29)30/h3-13H,14H2,1-2H3
InChIKeyAVPZCVWFLOOBRK-UHFFFAOYSA-N
MW541.24 g/mol
LogP6.00
Rot. Bonds5

About 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one

6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one (PubChem CID 126286380) has the molecular formula C24H19Br2N3O2 and a molecular weight of 541.24 g/mol. Its IUPAC name is 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
PubChem CID126286380
Molecular FormulaC24H19Br2N3O2
Molecular Weight541.24 g/mol
Exact Mass538.98
IUPAC Name6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1ccc(COc2ccc(Br)cc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C24H19Br2N3O2/c1-15-3-5-17(6-4-15)14-31-23-10-8-19(25)11-18(23)13-27-29-16(2)28-22-9-7-20(26)12-21(22)24(29)30/h3-13H,14H2,1-2H3
InChIKeyAVPZCVWFLOOBRK-UHFFFAOYSA-N
XLogP6.00
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.24
LogP ≤ 56.00
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

6-bromo-3-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126297585
6-bromo-3-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126306718
6-bromo-3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126308669
6-bromo-3-[[4-[(4-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126311347
6-bromo-3-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126342014
6-bromo-3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylquinazolin-4-one
CID 126307007
4-[[2-bromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126280085
3-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408324
6-bromo-3-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126287492
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126314131
6-bromo-3-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126282568
6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126292128

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one (CID 126286380) is 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one is Cc1ccc(COc2ccc(Br)cc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is AVPZCVWFLOOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br2N3O2/c1-15-3-5-17(6-4-15)14-31-23-10-8-19(25)11-18(23)13-27-29-16(2)28-22-9-7-20(26)12-21(22)24(29)30/h3-13H,14H2,1-2H3.
What are the key properties of 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 541.24 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 126286380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).