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

C20H21FN4 — CID 121453070

IUPACN-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H21FN4/c1-25(2)14-13-22-20-17-5-3-4-6-18(17)23-19(24-20)12-9-15-7-10-16(21)11-8-15/h3-12H,13-14H2,1-2H3,(H,22,23,24)/b12-9+
InChIKeyVQCDKFOAXKSCRP-FMIVXFBMSA-N
MW336.41 g/mol
LogP3.91
Rot. Bonds6

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

N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 121453070) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID121453070
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H21FN4/c1-25(2)14-13-22-20-17-5-3-4-6-18(17)23-19(24-20)12-9-15-7-10-16(21)11-8-15/h3-12H,13-14H2,1-2H3,(H,22,23,24)/b12-9+
InChIKeyVQCDKFOAXKSCRP-FMIVXFBMSA-N
XLogP3.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 121453070) is N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is VQCDKFOAXKSCRP-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H21FN4/c1-25(2)14-13-22-20-17-5-3-4-6-18(17)23-19(24-20)12-9-15-7-10-16(21)11-8-15/h3-12H,13-14H2,1-2H3,(H,22,23,24)/b12-9+.
What are the key properties of N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 336.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121453070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).