N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine

C19H22N4S — CID 121453113

IUPACN',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1nc(/C=C/c2cccs2)nc2ccccc12
InChIInChI=1S/C19H22N4S/c1-23(2)13-6-12-20-19-16-8-3-4-9-17(16)21-18(22-19)11-10-15-7-5-14-24-15/h3-5,7-11,14H,6,12-13H2,1-2H3,(H,20,21,22)/b11-10+
InChIKeyOLIDIZMMDSEANI-ZHACJKMWSA-N
MW338.48 g/mol
LogP4.23
Rot. Bonds7

About N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine

N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 121453113) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine
PubChem CID121453113
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1nc(/C=C/c2cccs2)nc2ccccc12
InChIInChI=1S/C19H22N4S/c1-23(2)13-6-12-20-19-16-8-3-4-9-17(16)21-18(22-19)11-10-15-7-5-14-24-15/h3-5,7-11,14H,6,12-13H2,1-2H3,(H,20,21,22)/b11-10+
InChIKeyOLIDIZMMDSEANI-ZHACJKMWSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine
CID 121453101
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N',N'-diethyl-N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453105
2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol
CID 69458152
N',N'-dimethyl-N-[3-(2-phenylethenyl)isoquinolin-1-yl]propane-1,3-diamine
CID 58017063
N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69071537
N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
CID 156820936
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492
N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402520
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 N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine (CID 121453113) is N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine is CN(C)CCCNc1nc(/C=C/c2cccs2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine?
The InChIKey is OLIDIZMMDSEANI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22N4S/c1-23(2)13-6-12-20-19-16-8-3-4-9-17(16)21-18(22-19)11-10-15-7-5-14-24-15/h3-5,7-11,14H,6,12-13H2,1-2H3,(H,20,21,22)/b11-10+.
What are the key properties of N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 338.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 121453113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).