tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate

C17H20BrN5O2 — CID 155679535

IUPACtert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12
InChIInChI=1S/C17H20BrN5O2/c1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23/h4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24)
InChIKeySBOZLOUMCBRYSP-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.45
Rot. Bonds3

About tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate

tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate (PubChem CID 155679535) has the molecular formula C17H20BrN5O2 and a molecular weight of 406.28 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate
PubChem CID155679535
Molecular FormulaC17H20BrN5O2
Molecular Weight406.28 g/mol
Exact Mass405.08
IUPAC Nametert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12
InChIInChI=1S/C17H20BrN5O2/c1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23/h4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24)
InChIKeySBOZLOUMCBRYSP-UHFFFAOYSA-N
XLogP3.45
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate (CID 155679535) is tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.
What is the InChIKey of tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate?
The InChIKey is SBOZLOUMCBRYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O2/c1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23/h4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24).
What are the key properties of tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate has a molecular weight of 406.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate is sourced from PubChem (CID 155679535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).