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

C20H19ClN4O — CID 73333973

IUPAC2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12
InChIInChI=1S/C20H19ClN4O/c1-24(2)11-12-26-20-16-5-3-4-6-18(16)25-19(23-20)17(13-22-25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyFBPWXSPGBYYSAT-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.14
Rot. Bonds5

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

2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine (PubChem CID 73333973) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine
PubChem CID73333973
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12
InChIInChI=1S/C20H19ClN4O/c1-24(2)11-12-26-20-16-5-3-4-6-18(16)25-19(23-20)17(13-22-25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyFBPWXSPGBYYSAT-UHFFFAOYSA-N
XLogP4.14
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.14
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-dimethylethanamine?
The IUPAC name of 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine (CID 73333973) is 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12.
What is the InChIKey of 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine?
The InChIKey is FBPWXSPGBYYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-24(2)11-12-26-20-16-5-3-4-6-18(16)25-19(23-20)17(13-22-25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine?
2-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylethanamine has a molecular weight of 366.85 g/mol, XLogP of 4.14, 5 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-dimethylethanamine is sourced from PubChem (CID 73333973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).