4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine

C21H19BrN4O — CID 67075941

IUPAC4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine
SMILESBrc1ccc2nc(N3CCOCC3)c3c(cnn3Cc3ccccc3)c2c1
InChIInChI=1S/C21H19BrN4O/c22-16-6-7-19-17(12-16)18-13-23-26(14-15-4-2-1-3-5-15)20(18)21(24-19)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2
InChIKeyGZUZRGKBDHWUEA-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.23
Rot. Bonds3

About 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine

4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine (PubChem CID 67075941) has the molecular formula C21H19BrN4O and a molecular weight of 423.31 g/mol. Its IUPAC name is 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine
PubChem CID67075941
Molecular FormulaC21H19BrN4O
Molecular Weight423.31 g/mol
Exact Mass422.07
IUPAC Name4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine
SMILESBrc1ccc2nc(N3CCOCC3)c3c(cnn3Cc3ccccc3)c2c1
InChIInChI=1S/C21H19BrN4O/c22-16-6-7-19-17(12-16)18-13-23-26(14-15-4-2-1-3-5-15)20(18)21(24-19)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2
InChIKeyGZUZRGKBDHWUEA-UHFFFAOYSA-N
XLogP4.23
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine?
The IUPAC name of 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine (CID 67075941) is 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine.
What is the SMILES notation for 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine?
The canonical SMILES for 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine is Brc1ccc2nc(N3CCOCC3)c3c(cnn3Cc3ccccc3)c2c1.
What is the InChIKey of 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine?
The InChIKey is GZUZRGKBDHWUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O/c22-16-6-7-19-17(12-16)18-13-23-26(14-15-4-2-1-3-5-15)20(18)21(24-19)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2.
What are the key properties of 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine?
4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine has a molecular weight of 423.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine is sourced from PubChem (CID 67075941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).