N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine

C21H21BrN6O — CID 5328283

IUPACN-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(cnn4CCN4CCOCC4)cc23)c1
InChIInChI=1S/C21H21BrN6O/c22-16-2-1-3-17(11-16)26-21-18-10-15-13-25-28(5-4-27-6-8-29-9-7-27)20(15)12-19(18)23-14-24-21/h1-3,10-14H,4-9H2,(H,23,24,26)
InChIKeyZNHHYTFVIUDETO-UHFFFAOYSA-N
MW453.34 g/mol
LogP3.82
Rot. Bonds5

About N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine

N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine (PubChem CID 5328283) has the molecular formula C21H21BrN6O and a molecular weight of 453.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine
PubChem CID5328283
Molecular FormulaC21H21BrN6O
Molecular Weight453.34 g/mol
Exact Mass452.10
IUPAC NameN-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(cnn4CCN4CCOCC4)cc23)c1
InChIInChI=1S/C21H21BrN6O/c22-16-2-1-3-17(11-16)26-21-18-10-15-13-25-28(5-4-27-6-8-29-9-7-27)20(15)12-19(18)23-14-24-21/h1-3,10-14H,4-9H2,(H,23,24,26)
InChIKeyZNHHYTFVIUDETO-UHFFFAOYSA-N
XLogP3.82
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine?
The IUPAC name of N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine (CID 5328283) is N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine?
The canonical SMILES for N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine is Brc1cccc(Nc2ncnc3cc4c(cnn4CCN4CCOCC4)cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine?
The InChIKey is ZNHHYTFVIUDETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6O/c22-16-2-1-3-17(11-16)26-21-18-10-15-13-25-28(5-4-27-6-8-29-9-7-27)20(15)12-19(18)23-14-24-21/h1-3,10-14H,4-9H2,(H,23,24,26).
What are the key properties of N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine?
N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine has a molecular weight of 453.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(2-morpholin-4-ylethyl)pyrazolo[4,3-g]quinazolin-5-amine is sourced from PubChem (CID 5328283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).