2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one

C20H15N3O3 — CID 6858646

IUPAC2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)c1
InChIInChI=1S/C20H15N3O3/c1-25-15-7-4-6-14(12-15)13-21-23-19(18-10-5-11-26-18)22-17-9-3-2-8-16(17)20(23)24/h2-13H,1H3/b21-13+
InChIKeyCPZLWYHTRFCASD-FYJGNVAPSA-N
MW345.36 g/mol
LogP3.55
Rot. Bonds4

About 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one

2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 6858646) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID6858646
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)c1
InChIInChI=1S/C20H15N3O3/c1-25-15-7-4-6-14(12-15)13-21-23-19(18-10-5-11-26-18)22-17-9-3-2-8-16(17)20(23)24/h2-13H,1H3/b21-13+
InChIKeyCPZLWYHTRFCASD-FYJGNVAPSA-N
XLogP3.55
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one (CID 6858646) is 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one is COc1cccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is CPZLWYHTRFCASD-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-15-7-4-6-14(12-15)13-21-23-19(18-10-5-11-26-18)22-17-9-3-2-8-16(17)20(23)24/h2-13H,1H3/b21-13+.
What are the key properties of 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 345.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(E)-(3-methoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 6858646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).