3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one

C28H20BrN3O2 — CID 126410693

IUPAC3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C28H20BrN3O2/c29-23-15-16-26(34-19-20-9-3-1-4-10-20)22(17-23)18-30-32-27(21-11-5-2-6-12-21)31-25-14-8-7-13-24(25)28(32)33/h1-18H,19H2
InChIKeyWZKCNHBROMXCFJ-UHFFFAOYSA-N
MW510.39 g/mol
LogP6.29
Rot. Bonds6

About 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one

3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 126410693) has the molecular formula C28H20BrN3O2 and a molecular weight of 510.39 g/mol. Its IUPAC name is 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
PubChem CID126410693
Molecular FormulaC28H20BrN3O2
Molecular Weight510.39 g/mol
Exact Mass509.07
IUPAC Name3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C28H20BrN3O2/c29-23-15-16-26(34-19-20-9-3-1-4-10-20)22(17-23)18-30-32-27(21-11-5-2-6-12-21)31-25-14-8-7-13-24(25)28(32)33/h1-18H,19H2
InChIKeyWZKCNHBROMXCFJ-UHFFFAOYSA-N
XLogP6.29
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 56.29
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

3-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408324
3-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405994
3-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406960
3-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126307631
3-[(5-bromo-3-nitro-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126411885
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126314131
3-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405630
3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409625
3-[[5-bromo-2-(2,2-dimethylpropoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126282458
2-(1-benzofuran-2-yl)-3-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126280299
2-[4-bromo-2-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]acetic acid
CID 126300085
6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126286380

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (CID 126410693) is 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is WZKCNHBROMXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrN3O2/c29-23-15-16-26(34-19-20-9-3-1-4-10-20)22(17-23)18-30-32-27(21-11-5-2-6-12-21)31-25-14-8-7-13-24(25)28(32)33/h1-18H,19H2.
What are the key properties of 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 510.39 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 126410693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).