3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one

C20H13Cl2N3O2 — CID 9239381

IUPAC3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H13Cl2N3O2/c1-12-24-18-5-3-2-4-15(18)20(26)25(12)23-11-14-7-9-19(27-14)16-10-13(21)6-8-17(16)22/h2-11H,1H3/b23-11-
InChIKeyABDRCPBYXNNOQB-KSEXSDGBSA-N
MW398.25 g/mol
LogP5.15
Rot. Bonds3

About 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one

3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one (PubChem CID 9239381) has the molecular formula C20H13Cl2N3O2 and a molecular weight of 398.25 g/mol. Its IUPAC name is 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
PubChem CID9239381
Molecular FormulaC20H13Cl2N3O2
Molecular Weight398.25 g/mol
Exact Mass397.04
IUPAC Name3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H13Cl2N3O2/c1-12-24-18-5-3-2-4-15(18)20(26)25(12)23-11-14-7-9-19(27-14)16-10-13(21)6-8-17(16)22/h2-11H,1H3/b23-11-
InChIKeyABDRCPBYXNNOQB-KSEXSDGBSA-N
XLogP5.15
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-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

7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9155005
4-chloro-3-[5-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]furan-2-yl]benzoic acid
CID 3523901
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
4-chloro-3-[5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]furan-2-yl]benzoic acid
CID 126297507
methyl 4-chloro-3-[5-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]furan-2-yl]benzoate
CID 126294953
2-[5-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]furan-2-yl]benzonitrile
CID 126306676
3-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methylquinazolin-4-one
CID 7965531
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylideneamino]quinazolin-4-one
CID 126301905
2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126311906
2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 23738244
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
CID 126310077

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one (CID 9239381) is 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is ABDRCPBYXNNOQB-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2/c1-12-24-18-5-3-2-4-15(18)20(26)25(12)23-11-14-7-9-19(27-14)16-10-13(21)6-8-17(16)22/h2-11H,1H3/b23-11-.
What are the key properties of 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 398.25 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 9239381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).