N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride

C15H23ClN4 — CID 2789697

IUPACN',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride
SMILESCCN(CC)CCCNc1ncnc2ccccc12.Cl
InChIInChI=1S/C15H22N4.ClH/c1-3-19(4-2)11-7-10-16-15-13-8-5-6-9-14(13)17-12-18-15;/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,16,17,18);1H
InChIKeyWBTLNIJNJSFDTJ-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.20
Rot. Bonds7

About N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride

N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride (PubChem CID 2789697) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride
PubChem CID2789697
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC NameN',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride
SMILESCCN(CC)CCCNc1ncnc2ccccc12.Cl
InChIInChI=1S/C15H22N4.ClH/c1-3-19(4-2)11-7-10-16-15-13-8-5-6-9-14(13)17-12-18-15;/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,16,17,18);1H
InChIKeyWBTLNIJNJSFDTJ-UHFFFAOYSA-N
XLogP3.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride (CID 2789697) is N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride is CCN(CC)CCCNc1ncnc2ccccc12.Cl.
What is the InChIKey of N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride?
The InChIKey is WBTLNIJNJSFDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.ClH/c1-3-19(4-2)11-7-10-16-15-13-8-5-6-9-14(13)17-12-18-15;/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,16,17,18);1H.
What are the key properties of N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride?
N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-quinazolin-4-ylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 2789697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).