2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one

C30H18BrClFN3O3 — CID 126298334

IUPAC2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccccc1F
InChIInChI=1S/C30H18BrClFN3O3/c31-23-15-21(32)13-20(28(23)38-17-19-8-1-4-10-24(19)33)16-34-36-29(27-14-18-7-2-6-12-26(18)39-27)35-25-11-5-3-9-22(25)30(36)37/h1-16H,17H2
InChIKeyZXIAUULJMBIUTI-UHFFFAOYSA-N
MW602.85 g/mol
LogP7.83
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one

2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (PubChem CID 126298334) has the molecular formula C30H18BrClFN3O3 and a molecular weight of 602.85 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
PubChem CID126298334
Molecular FormulaC30H18BrClFN3O3
Molecular Weight602.85 g/mol
Exact Mass601.02
IUPAC Name2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccccc1F
InChIInChI=1S/C30H18BrClFN3O3/c31-23-15-21(32)13-20(28(23)38-17-19-8-1-4-10-24(19)33)16-34-36-29(27-14-18-7-2-6-12-26(18)39-27)35-25-11-5-3-9-22(25)30(36)37/h1-16H,17H2
InChIKeyZXIAUULJMBIUTI-UHFFFAOYSA-N
XLogP7.83
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.85
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-(2,2-dimethylpropoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126285178
2-(5-bromo-1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126282155
2-(5-bromo-1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126287354
2-(1-benzofuran-2-yl)-3-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126299676
2-[[2-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-4-chloro-6-nitrophenoxy]methyl]benzonitrile
CID 126295730
2-(1-benzofuran-2-yl)-3-[[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126287877
2-(1-benzofuran-2-yl)-3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]methylideneamino]quinazolin-4-one
CID 126296293
2-(1-benzofuran-2-yl)-3-[(3-bromo-5-chloro-4-phenylmethoxyphenyl)methylideneamino]quinazolin-4-one
CID 126301804
2-[[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2,6-dibromophenoxy]methyl]benzonitrile
CID 126292336
methyl (2S)-2-[2-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-6-bromo-4-chlorophenoxy]propanoate
CID 126303799
2-(5-bromo-1-benzofuran-2-yl)-3-[[2-bromo-3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126310396
2-(1-benzofuran-2-yl)-3-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]quinazolin-4-one
CID 126310492

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (CID 126298334) is 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccccc1F.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The InChIKey is ZXIAUULJMBIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BrClFN3O3/c31-23-15-21(32)13-20(28(23)38-17-19-8-1-4-10-24(19)33)16-34-36-29(27-14-18-7-2-6-12-26(18)39-27)35-25-11-5-3-9-22(25)30(36)37/h1-16H,17H2.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one has a molecular weight of 602.85 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126298334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).