tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate

C19H24BrN3O2 — CID 67309213

IUPACtert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccnc2ccc(Br)cc12)C1CCCNC1
InChIInChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)23(14-5-4-9-21-12-14)17-8-10-22-16-7-6-13(20)11-15(16)17/h6-8,10-11,14,21H,4-5,9,12H2,1-3H3
InChIKeyUTONOQGWKOVKIP-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.49
Rot. Bonds2

About tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate

tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate (PubChem CID 67309213) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate
PubChem CID67309213
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Nametert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccnc2ccc(Br)cc12)C1CCCNC1
InChIInChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)23(14-5-4-9-21-12-14)17-8-10-22-16-7-6-13(20)11-15(16)17/h6-8,10-11,14,21H,4-5,9,12H2,1-3H3
InChIKeyUTONOQGWKOVKIP-UHFFFAOYSA-N
XLogP4.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate (CID 67309213) is tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate is CC(C)(C)OC(=O)N(c1ccnc2ccc(Br)cc12)C1CCCNC1.
What is the InChIKey of tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate?
The InChIKey is UTONOQGWKOVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)23(14-5-4-9-21-12-14)17-8-10-22-16-7-6-13(20)11-15(16)17/h6-8,10-11,14,21H,4-5,9,12H2,1-3H3.
What are the key properties of tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate?
tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate has a molecular weight of 406.32 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromoquinolin-4-yl)-N-piperidin-3-ylcarbamate is sourced from PubChem (CID 67309213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).