4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine

C18H14ClFN4O4 — CID 59743241

IUPAC4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C/c2nc(Cl)c3cc(N4CCOCC4)c(F)cc3n2)o1
InChIInChI=1S/C18H14ClFN4O4/c19-18-12-9-15(23-5-7-27-8-6-23)13(20)10-14(12)21-16(22-18)3-1-11-2-4-17(28-11)24(25)26/h1-4,9-10H,5-8H2/b3-1+
InChIKeyLUXGNLOKQSXCKJ-HNQUOIGGSA-N
MW404.79 g/mol
LogP3.93
Rot. Bonds4

About 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine

4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine (PubChem CID 59743241) has the molecular formula C18H14ClFN4O4 and a molecular weight of 404.79 g/mol. Its IUPAC name is 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine
PubChem CID59743241
Molecular FormulaC18H14ClFN4O4
Molecular Weight404.79 g/mol
Exact Mass404.07
IUPAC Name4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C/c2nc(Cl)c3cc(N4CCOCC4)c(F)cc3n2)o1
InChIInChI=1S/C18H14ClFN4O4/c19-18-12-9-15(23-5-7-27-8-6-23)13(20)10-14(12)21-16(22-18)3-1-11-2-4-17(28-11)24(25)26/h1-4,9-10H,5-8H2/b3-1+
InChIKeyLUXGNLOKQSXCKJ-HNQUOIGGSA-N
XLogP3.93
TPSA94.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
The IUPAC name of 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine (CID 59743241) is 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
The canonical SMILES for 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine is O=[N+]([O-])c1ccc(/C=C/c2nc(Cl)c3cc(N4CCOCC4)c(F)cc3n2)o1.
What is the InChIKey of 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
The InChIKey is LUXGNLOKQSXCKJ-HNQUOIGGSA-N. The full InChI is InChI=1S/C18H14ClFN4O4/c19-18-12-9-15(23-5-7-27-8-6-23)13(20)10-14(12)21-16(22-18)3-1-11-2-4-17(28-11)24(25)26/h1-4,9-10H,5-8H2/b3-1+.
What are the key properties of 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine has a molecular weight of 404.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine is sourced from PubChem (CID 59743241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).