tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate

C21H24N4O2 — CID 59560610

IUPACtert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nn(-c3cccc4cccnc34)cc2C1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)27-20(26)23-16-9-10-17-15(12-16)13-25(24-17)18-8-4-6-14-7-5-11-22-19(14)18/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,23,26)
InChIKeyWQYPWQQBYGUNKV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.80
Rot. Bonds2

About tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate

tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate (PubChem CID 59560610) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate
PubChem CID59560610
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Nametert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nn(-c3cccc4cccnc34)cc2C1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)27-20(26)23-16-9-10-17-15(12-16)13-25(24-17)18-8-4-6-14-7-5-11-22-19(14)18/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,23,26)
InChIKeyWQYPWQQBYGUNKV-UHFFFAOYSA-N
XLogP3.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate (CID 59560610) is tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2nn(-c3cccc4cccnc34)cc2C1.
What is the InChIKey of tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate?
The InChIKey is WQYPWQQBYGUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)27-20(26)23-16-9-10-17-15(12-16)13-25(24-17)18-8-4-6-14-7-5-11-22-19(14)18/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate?
tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate has a molecular weight of 364.45 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-quinolin-8-yl-4,5,6,7-tetrahydroindazol-5-yl)carbamate is sourced from PubChem (CID 59560610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).