3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride

C22H25ClN4O2 — CID 73334278

IUPAC3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc(-c2cnn3c2nc(OCCCN(C)C)c2ccccc23)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-25(2)13-6-14-28-22-18-7-4-5-8-20(18)26-21(24-22)19(15-23-26)16-9-11-17(27-3)12-10-16;/h4-5,7-12,15H,6,13-14H2,1-3H3;1H
InChIKeyIBCNKOZJLXXUQS-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.31
Rot. Bonds7

About 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride

3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 73334278) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID73334278
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc(-c2cnn3c2nc(OCCCN(C)C)c2ccccc23)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-25(2)13-6-14-28-22-18-7-4-5-8-20(18)26-21(24-22)19(15-23-26)16-9-11-17(27-3)12-10-16;/h4-5,7-12,15H,6,13-14H2,1-3H3;1H
InChIKeyIBCNKOZJLXXUQS-UHFFFAOYSA-N
XLogP4.31
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride (CID 73334278) is 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride is COc1ccc(-c2cnn3c2nc(OCCCN(C)C)c2ccccc23)cc1.Cl.
What is the InChIKey of 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is IBCNKOZJLXXUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/c1-25(2)13-6-14-28-22-18-7-4-5-8-20(18)26-21(24-22)19(15-23-26)16-9-11-17(27-3)12-10-16;/h4-5,7-12,15H,6,13-14H2,1-3H3;1H.
What are the key properties of 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 73334278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).