N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C20H19BrF2N4 — CID 121453090

IUPACN-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Br)cc12
InChIInChI=1S/C20H19BrF2N4/c1-27(2)10-9-24-20-15-12-14(21)5-7-18(15)25-19(26-20)8-4-13-3-6-16(22)17(23)11-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,25,26)/b8-4+
InChIKeyYUTGFPLCGBEMPU-XBXARRHUSA-N
MW433.30 g/mol
LogP4.81
Rot. Bonds6

About N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 121453090) has the molecular formula C20H19BrF2N4 and a molecular weight of 433.30 g/mol. Its IUPAC name is N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID121453090
Molecular FormulaC20H19BrF2N4
Molecular Weight433.30 g/mol
Exact Mass432.08
IUPAC NameN-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Br)cc12
InChIInChI=1S/C20H19BrF2N4/c1-27(2)10-9-24-20-15-12-14(21)5-7-18(15)25-19(26-20)8-4-13-3-6-16(22)17(23)11-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,25,26)/b8-4+
InChIKeyYUTGFPLCGBEMPU-XBXARRHUSA-N
XLogP4.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 121453090) is N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Br)cc12.
What is the InChIKey of N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YUTGFPLCGBEMPU-XBXARRHUSA-N. The full InChI is InChI=1S/C20H19BrF2N4/c1-27(2)10-9-24-20-15-12-14(21)5-7-18(15)25-19(26-20)8-4-13-3-6-16(22)17(23)11-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,25,26)/b8-4+.
What are the key properties of N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 433.30 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121453090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).