N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride

C22H25ClN4O — CID 73334174

IUPACN,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride
SMILESCCN(CC)CCOc1nc2cc(-c3ccccc3)nn2c2ccccc12.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-3-25(4-2)14-15-27-22-18-12-8-9-13-20(18)26-21(23-22)16-19(24-26)17-10-6-5-7-11-17;/h5-13,16H,3-4,14-15H2,1-2H3;1H
InChIKeyONCOODDZGFVQHA-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.69
Rot. Bonds7

About N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride

N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride (PubChem CID 73334174) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride
PubChem CID73334174
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride
SMILESCCN(CC)CCOc1nc2cc(-c3ccccc3)nn2c2ccccc12.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-3-25(4-2)14-15-27-22-18-12-8-9-13-20(18)26-21(23-22)16-19(24-26)17-10-6-5-7-11-17;/h5-13,16H,3-4,14-15H2,1-2H3;1H
InChIKeyONCOODDZGFVQHA-UHFFFAOYSA-N
XLogP4.69
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride (CID 73334174) is N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride is CCN(CC)CCOc1nc2cc(-c3ccccc3)nn2c2ccccc12.Cl.
What is the InChIKey of N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride?
The InChIKey is ONCOODDZGFVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-3-25(4-2)14-15-27-22-18-12-8-9-13-20(18)26-21(23-22)16-19(24-26)17-10-6-5-7-11-17;/h5-13,16H,3-4,14-15H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride?
N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-phenylpyrazolo[1,5-a]quinazolin-5-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 73334174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).