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

C18H15FN4O4 — CID 69170976

IUPAC4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C/c2ncc3cc(N4CCOCC4)c(F)cc3n2)o1
InChIInChI=1S/C18H15FN4O4/c19-14-10-15-12(9-16(14)22-5-7-26-8-6-22)11-20-17(21-15)3-1-13-2-4-18(27-13)23(24)25/h1-4,9-11H,5-8H2/b3-1+
InChIKeyJHIMBWBBWBFHFI-HNQUOIGGSA-N
MW370.34 g/mol
LogP3.28
Rot. Bonds4

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

4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine (PubChem CID 69170976) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine.

Molecular Properties

Compound Name4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine
PubChem CID69170976
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C/c2ncc3cc(N4CCOCC4)c(F)cc3n2)o1
InChIInChI=1S/C18H15FN4O4/c19-14-10-15-12(9-16(14)22-5-7-26-8-6-22)11-20-17(21-15)3-1-13-2-4-18(27-13)23(24)25/h1-4,9-11H,5-8H2/b3-1+
InChIKeyJHIMBWBBWBFHFI-HNQUOIGGSA-N
XLogP3.28
TPSA94.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.28
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'}

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Related Compounds

ethane;4-[[7-fluoro-6-morpholin-4-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]amino]phenol
CID 145476465
N-ethyl-7-fluoro-6-(4-methylpiperazin-1-yl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-amine
CID 59743267
4-[[6-fluoro-7-(4-methylpiperazin-1-yl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]amino]benzene-1,2-diol;bis(4-[[6-(4-methylpiperazin-1-yl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]amino]benzene-1,2-diol);4-[[7-(4-methylpiperazin-1-yl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-5-yl]amino]benzene-1,2-diol
CID 160587704
N-[7-fluoro-6-(4-methylpiperazin-1-yl)-2-[2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]-2-(2-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 136612146
4-[[6,7-difluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]amino]phenol
CID 140510614
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 11646853
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
7-fluoro-2-[2-(5-nitrofuran-2-yl)ethenyl]-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 69229320
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
CID 5376326
3-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
CID 23274283

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
The IUPAC name of 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine (CID 69170976) is 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine.
What is the SMILES notation for 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
The canonical SMILES for 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine is O=[N+]([O-])c1ccc(/C=C/c2ncc3cc(N4CCOCC4)c(F)cc3n2)o1.
What is the InChIKey of 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
The InChIKey is JHIMBWBBWBFHFI-HNQUOIGGSA-N. The full InChI is InChI=1S/C18H15FN4O4/c19-14-10-15-12(9-16(14)22-5-7-26-8-6-22)11-20-17(21-15)3-1-13-2-4-18(27-13)23(24)25/h1-4,9-11H,5-8H2/b3-1+.
What are the key properties of 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine?
4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine has a molecular weight of 370.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-6-yl]morpholine is sourced from PubChem (CID 69170976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).