2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine

C22H23ClN4O — CID 73333974

IUPAC2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12
InChIInChI=1S/C22H23ClN4O/c1-3-26(4-2)13-14-28-22-18-7-5-6-8-20(18)27-21(25-22)19(15-24-27)16-9-11-17(23)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyBGQQZAIFPILDTE-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.92
Rot. Bonds7

About 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine

2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine (PubChem CID 73333974) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine
PubChem CID73333974
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12
InChIInChI=1S/C22H23ClN4O/c1-3-26(4-2)13-14-28-22-18-7-5-6-8-20(18)27-21(25-22)19(15-24-27)16-9-11-17(23)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyBGQQZAIFPILDTE-UHFFFAOYSA-N
XLogP4.92
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine (CID 73333974) is 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine is CCN(CC)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12.
What is the InChIKey of 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine?
The InChIKey is BGQQZAIFPILDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-3-26(4-2)13-14-28-22-18-7-5-6-8-20(18)27-21(25-22)19(15-24-27)16-9-11-17(23)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine?
2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine has a molecular weight of 394.91 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 73333974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).