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

C21H21ClN4O — CID 73334077

IUPAC3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12
InChIInChI=1S/C21H21ClN4O/c1-25(2)12-5-13-27-21-17-6-3-4-7-19(17)26-20(24-21)18(14-23-26)15-8-10-16(22)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyRJGWZVCDTYEFGI-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.53
Rot. Bonds6

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

3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 73334077) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID73334077
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12
InChIInChI=1S/C21H21ClN4O/c1-25(2)12-5-13-27-21-17-6-3-4-7-19(17)26-20(24-21)18(14-23-26)15-8-10-16(22)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyRJGWZVCDTYEFGI-UHFFFAOYSA-N
XLogP4.53
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine (CID 73334077) is 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine is CN(C)CCCOc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12.
What is the InChIKey of 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is RJGWZVCDTYEFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-25(2)12-5-13-27-21-17-6-3-4-7-19(17)26-20(24-21)18(14-23-26)15-8-10-16(22)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3.
What are the key properties of 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine?
3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 380.88 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 73334077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).