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

C30H20FN3O3 — CID 126308764

IUPAC2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C30H20FN3O3/c31-23-10-5-8-21(15-23)19-36-24-11-6-7-20(16-24)18-32-34-29(28-17-22-9-1-4-14-27(22)37-28)33-26-13-3-2-12-25(26)30(34)35/h1-18H,19H2
InChIKeyGNEFVLOVQYPFGV-UHFFFAOYSA-N
MW489.51 g/mol
LogP6.41
Rot. Bonds6

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

2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (PubChem CID 126308764) has the molecular formula C30H20FN3O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
PubChem CID126308764
Molecular FormulaC30H20FN3O3
Molecular Weight489.51 g/mol
Exact Mass489.15
IUPAC Name2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C30H20FN3O3/c31-23-10-5-8-21(15-23)19-36-24-11-6-7-20(16-24)18-32-34-29(28-17-22-9-1-4-14-27(22)37-28)33-26-13-3-2-12-25(26)30(34)35/h1-18H,19H2
InChIKeyGNEFVLOVQYPFGV-UHFFFAOYSA-N
XLogP6.41
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzofuran-2-yl)-3-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126313831
3-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylideneamino]-2-(1-benzofuran-2-yl)quinazolin-4-one
CID 126303593
2-(5-chloro-1-benzofuran-2-yl)-3-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126298886
3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126304946
2-(1-benzofuran-2-yl)-3-[[2,3-dibromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126307812
2-[3-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126296537
2-(5-chloro-1-benzofuran-2-yl)-3-[[3-(2,2-dimethylpropoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126294151
3-[[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
CID 126291444
2-(1-benzofuran-2-yl)-3-[[2-bromo-3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126310670
2-(5-bromo-1-benzofuran-2-yl)-3-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126295068
3-[[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2-bromophenoxy]methyl]benzoic acid
CID 126303614
3-[[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2-chlorophenoxy]methyl]benzoic acid
CID 126307091

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (CID 126308764) is 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The InChIKey is GNEFVLOVQYPFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN3O3/c31-23-10-5-8-21(15-23)19-36-24-11-6-7-20(16-24)18-32-34-29(28-17-22-9-1-4-14-27(22)37-28)33-26-13-3-2-12-25(26)30(34)35/h1-18H,19H2.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[[3-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one has a molecular weight of 489.51 g/mol, XLogP of 6.41, 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-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126308764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).