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

C22H24N4O2 — CID 73333745

IUPAC3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(-c2cnn3c2nc(OCCCN(C)C)c2ccccc23)cc1
InChIInChI=1S/C22H24N4O2/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
InChIKeyNSYJSVYUODNUHQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.89
Rot. Bonds7

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

3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 73333745) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID73333745
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(-c2cnn3c2nc(OCCCN(C)C)c2ccccc23)cc1
InChIInChI=1S/C22H24N4O2/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
InChIKeyNSYJSVYUODNUHQ-UHFFFAOYSA-N
XLogP3.89
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

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4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
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6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
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Methyl substituted pyrazole, 28
CID 23648676
Triazolopyridazine, 10f
CID 24824705

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?
The IUPAC name of 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine (CID 73333745) is 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine is COc1ccc(-c2cnn3c2nc(OCCCN(C)C)c2ccccc23)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is NSYJSVYUODNUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/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.
What are the key properties of 3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine?
3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 376.46 g/mol, XLogP of 3.89, 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 is sourced from PubChem (CID 73333745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).