7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one

C20H13ClFN3O2 — CID 9155005

IUPAC7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H13ClFN3O2/c1-12-24-18-10-13(21)6-8-16(18)20(26)25(12)23-11-14-7-9-19(27-14)15-4-2-3-5-17(15)22/h2-11H,1H3/b23-11-
InChIKeyGQRAFSUPPHAIJA-KSEXSDGBSA-N
MW381.79 g/mol
LogP4.64
Rot. Bonds3

About 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one

7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one (PubChem CID 9155005) has the molecular formula C20H13ClFN3O2 and a molecular weight of 381.79 g/mol. Its IUPAC name is 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
PubChem CID9155005
Molecular FormulaC20H13ClFN3O2
Molecular Weight381.79 g/mol
Exact Mass381.07
IUPAC Name7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H13ClFN3O2/c1-12-24-18-10-13(21)6-8-16(18)20(26)25(12)23-11-14-7-9-19(27-14)15-4-2-3-5-17(15)22/h2-11H,1H3/b23-11-
InChIKeyGQRAFSUPPHAIJA-KSEXSDGBSA-N
XLogP4.64
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9239381
7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
CID 9294801
2-[5-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]furan-2-yl]benzonitrile
CID 126306676
6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025204
3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 9031963
4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295789
2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 9294798
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
4-chloro-3-[5-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]furan-2-yl]benzoic acid
CID 3523901
3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409974
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylideneamino]quinazolin-4-one
CID 126301905
2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 23738244

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one (CID 9155005) is 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one is Cc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is GQRAFSUPPHAIJA-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H13ClFN3O2/c1-12-24-18-10-13(21)6-8-16(18)20(26)25(12)23-11-14-7-9-19(27-14)15-4-2-3-5-17(15)22/h2-11H,1H3/b23-11-.
What are the key properties of 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one?
7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 381.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 9155005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).