2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one

C22H15N3O3 — CID 126311906

IUPAC2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)o1
InChIInChI=1S/C22H15N3O3/c1-14-10-11-16(27-14)13-23-25-21(20-12-15-6-2-5-9-19(15)28-20)24-18-8-4-3-7-17(18)22(25)26/h2-13H,1H3
InChIKeyNUTBMASKPXJBAF-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.59
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one

2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one (PubChem CID 126311906) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
PubChem CID126311906
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)o1
InChIInChI=1S/C22H15N3O3/c1-14-10-11-16(27-14)13-23-25-21(20-12-15-6-2-5-9-19(15)28-20)24-18-8-4-3-7-17(18)22(25)26/h2-13H,1H3
InChIKeyNUTBMASKPXJBAF-UHFFFAOYSA-N
XLogP4.59
TPSA73.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.59
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-[(5-methylfuran-2-yl)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-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one
CID 126293380
2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one
CID 126291766
(2S)-2-[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]propanoic acid
CID 126306631
2-(1-benzofuran-2-yl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 137125802
2-(5-bromo-1-benzofuran-2-yl)-3-[(4,5-dibromofuran-2-yl)methylideneamino]quinazolin-4-one
CID 126284159
2-(1-benzofuran-2-yl)-3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 137089940
3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
CID 126310077
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]quinazolin-4-one
CID 126286727
2-(1-benzofuran-2-yl)-3-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylideneamino]quinazolin-4-one
CID 126283358
2-(1-benzofuran-2-yl)-3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]quinazolin-4-one
CID 126286768
propan-2-yl 2-[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126288901
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylideneamino]quinazolin-4-one
CID 126301905

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one (CID 126311906) is 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one is Cc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The InChIKey is NUTBMASKPXJBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-14-10-11-16(27-14)13-23-25-21(20-12-15-6-2-5-9-19(15)28-20)24-18-8-4-3-7-17(18)22(25)26/h2-13H,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one has a molecular weight of 369.38 g/mol, XLogP of 4.59, 3 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-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126311906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).