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

C32H25N3O4 — CID 126305318

IUPAC2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESCOc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3OCc3cccc(C)c3)cc12
InChIInChI=1S/C32H25N3O4/c1-21-9-7-10-22(17-21)20-38-27-14-6-3-11-23(27)19-33-35-31(34-26-13-5-4-12-24(26)32(35)36)30-18-25-28(37-2)15-8-16-29(25)39-30/h3-19H,20H2,1-2H3
InChIKeyRDTGPJZPRHYRIZ-UHFFFAOYSA-N
MW515.57 g/mol
LogP6.59
Rot. Bonds7

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

2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (PubChem CID 126305318) has the molecular formula C32H25N3O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
PubChem CID126305318
Molecular FormulaC32H25N3O4
Molecular Weight515.57 g/mol
Exact Mass515.18
IUPAC Name2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESCOc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3OCc3cccc(C)c3)cc12
InChIInChI=1S/C32H25N3O4/c1-21-9-7-10-22(17-21)20-38-27-14-6-3-11-23(27)19-33-35-31(34-26-13-5-4-12-24(26)32(35)36)30-18-25-28(37-2)15-8-16-29(25)39-30/h3-19H,20H2,1-2H3
InChIKeyRDTGPJZPRHYRIZ-UHFFFAOYSA-N
XLogP6.59
TPSA78.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-bromo-3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126301347
3-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126302535
(2S)-2-[2-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]propanoic acid
CID 126302739
2-(1-benzofuran-2-yl)-3-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126280299
3-[(2-bromo-3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126294137
3-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126313952
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126290327
3-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126295537
3-[[4-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]methyl]benzoic acid
CID 126304961
2-(4-methoxy-1-benzofuran-2-yl)-3-[(2,4,6-trimethylphenyl)methylideneamino]quinazolin-4-one
CID 126290890
3-[[2-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-6-nitrophenoxy]methyl]benzoic acid
CID 126282812
3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126304465

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (CID 126305318) is 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3OCc3cccc(C)c3)cc12.
What is the InChIKey of 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The InChIKey is RDTGPJZPRHYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O4/c1-21-9-7-10-22(17-21)20-38-27-14-6-3-11-23(27)19-33-35-31(34-26-13-5-4-12-24(26)32(35)36)30-18-25-28(37-2)15-8-16-29(25)39-30/h3-19H,20H2,1-2H3.
What are the key properties of 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one has a molecular weight of 515.57 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-benzofuran-2-yl)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126305318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).