N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C20H20BrFN4 — CID 155551393

IUPACN-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cccc12
InChIInChI=1S/C20H20BrFN4/c1-26(2)13-12-23-20-16-4-3-5-17(21)19(16)24-18(25-20)11-8-14-6-9-15(22)10-7-14/h3-11H,12-13H2,1-2H3,(H,23,24,25)/b11-8+
InChIKeyGTEUFIJEGLFGJN-DHZHZOJOSA-N
MW415.31 g/mol
LogP4.68
Rot. Bonds6

About N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 155551393) has the molecular formula C20H20BrFN4 and a molecular weight of 415.31 g/mol. Its IUPAC name is N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID155551393
Molecular FormulaC20H20BrFN4
Molecular Weight415.31 g/mol
Exact Mass414.09
IUPAC NameN-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cccc12
InChIInChI=1S/C20H20BrFN4/c1-26(2)13-12-23-20-16-4-3-5-17(21)19(16)24-18(25-20)11-8-14-6-9-15(22)10-7-14/h3-11H,12-13H2,1-2H3,(H,23,24,25)/b11-8+
InChIKeyGTEUFIJEGLFGJN-DHZHZOJOSA-N
XLogP4.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 155551393) is N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cccc12.
What is the InChIKey of N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GTEUFIJEGLFGJN-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H20BrFN4/c1-26(2)13-12-23-20-16-4-3-5-17(21)19(16)24-18(25-20)11-8-14-6-9-15(22)10-7-14/h3-11H,12-13H2,1-2H3,(H,23,24,25)/b11-8+.
What are the key properties of N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 415.31 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 155551393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).