2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine

C24H21N3 — CID 5350492

IUPAC2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
SMILESC(=C/c1nc(NCCc2ccccc2)c2ccccc2n1)\c1ccccc1
InChIInChI=1S/C24H21N3/c1-3-9-19(10-4-1)15-16-23-26-22-14-8-7-13-21(22)24(27-23)25-18-17-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,25,26,27)/b16-15+
InChIKeyGTUGNYSRJRWCFU-FOCLMDBBSA-N
MW351.45 g/mol
LogP5.45
Rot. Bonds6

About 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine

2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine (PubChem CID 5350492) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
PubChem CID5350492
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
SMILESC(=C/c1nc(NCCc2ccccc2)c2ccccc2n1)\c1ccccc1
InChIInChI=1S/C24H21N3/c1-3-9-19(10-4-1)15-16-23-26-22-14-8-7-13-21(22)24(27-23)25-18-17-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,25,26,27)/b16-15+
InChIKeyGTUGNYSRJRWCFU-FOCLMDBBSA-N
XLogP5.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]octane-1,8-diamine
CID 69150856
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]pentane-1,5-diamine;dihydrochloride
CID 69150434
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
N-[3-(3-aminopropoxy)propyl]-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinazolin-4-amine
CID 68681681
N',N'-diethyl-N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453105
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
2-[3-[[2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]amino]propyl]guanidine
CID 22667933
2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
CID 54098100
1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 155528164
2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol
CID 69458152
2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 121453138

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine (CID 5350492) is 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine is C(=C/c1nc(NCCc2ccccc2)c2ccccc2n1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine?
The InChIKey is GTUGNYSRJRWCFU-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H21N3/c1-3-9-19(10-4-1)15-16-23-26-22-14-8-7-13-21(22)24(27-23)25-18-17-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,25,26,27)/b16-15+.
What are the key properties of 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine?
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 5350492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).