N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine

C21H22N4O2 — CID 51119804

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1OCCN(C)c1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C21H22N4O2/c1-15-14-20-22-21(16-8-4-5-9-17(16)25(20)23-15)24(2)12-13-27-19-11-7-6-10-18(19)26-3/h4-11,14H,12-13H2,1-3H3
InChIKeySPVXMIMQNQCOFP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine

N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 51119804) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID51119804
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1OCCN(C)c1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C21H22N4O2/c1-15-14-20-22-21(16-8-4-5-9-17(16)25(20)23-15)24(2)12-13-27-19-11-7-6-10-18(19)26-3/h4-11,14H,12-13H2,1-3H3
InChIKeySPVXMIMQNQCOFP-UHFFFAOYSA-N
XLogP3.71
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine (CID 51119804) is N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine is COc1ccccc1OCCN(C)c1nc2cc(C)nn2c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is SPVXMIMQNQCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-14-20-22-21(16-8-4-5-9-17(16)25(20)23-15)24(2)12-13-27-19-11-7-6-10-18(19)26-3/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine?
N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 362.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 51119804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).