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

C25H19N3O3 — CID 126293380

IUPAC2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C25H19N3O3/c1-16-13-19(30-2)12-11-18(16)15-26-28-24(23-14-17-7-3-6-10-22(17)31-23)27-21-9-5-4-8-20(21)25(28)29/h3-15H,1-2H3
InChIKeyZIZSLAHOYRNWNF-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.01
Rot. Bonds4

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

2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one (PubChem CID 126293380) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one
PubChem CID126293380
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C25H19N3O3/c1-16-13-19(30-2)12-11-18(16)15-26-28-24(23-14-17-7-3-6-10-22(17)31-23)27-21-9-5-4-8-20(21)25(28)29/h3-15H,1-2H3
InChIKeyZIZSLAHOYRNWNF-UHFFFAOYSA-N
XLogP5.01
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.01
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-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]quinazolin-4-one
CID 126310859
2-(1-benzofuran-2-yl)-3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 137089940
2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126311906
2-(1-benzofuran-2-yl)-3-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 137036318
2-(1-benzofuran-2-yl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 137125802
[2-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-4-bromo-6-methoxyphenyl] acetate
CID 126295910
2-(1-benzofuran-2-yl)-3-[(5-chloro-2-ethoxy-3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 126300999
2-(1-benzofuran-2-yl)-3-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylideneamino]quinazolin-4-one
CID 126283358
(2R)-2-[2-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126298809
(2S)-2-[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]propanoic acid
CID 126306631
2-(5-chloro-1-benzofuran-2-yl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 126302330
2-(1-benzofuran-2-yl)-3-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126295781

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one (CID 126293380) is 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one is COc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is ZIZSLAHOYRNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-16-13-19(30-2)12-11-18(16)15-26-28-24(23-14-17-7-3-6-10-22(17)31-23)27-21-9-5-4-8-20(21)25(28)29/h3-15H,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 409.45 g/mol, XLogP of 5.01, 4 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-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126293380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).