tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate

C19H18BrN3O2 — CID 22601624

IUPACtert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C19H18BrN3O2/c1-19(2,3)25-18(24)23-16-11-17(15-6-4-5-9-21-15)22-14-8-7-12(20)10-13(14)16/h4-11H,1-3H3,(H,22,23,24)
InChIKeyLVMZZYXVUVYMSR-UHFFFAOYSA-N
MW400.28 g/mol
LogP5.41
Rot. Bonds2

About tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate

tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate (PubChem CID 22601624) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate
PubChem CID22601624
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Nametert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C19H18BrN3O2/c1-19(2,3)25-18(24)23-16-11-17(15-6-4-5-9-21-15)22-14-8-7-12(20)10-13(14)16/h4-11H,1-3H3,(H,22,23,24)
InChIKeyLVMZZYXVUVYMSR-UHFFFAOYSA-N
XLogP5.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate (CID 22601624) is tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cc(-c2ccccn2)nc2ccc(Br)cc12.
What is the InChIKey of tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate?
The InChIKey is LVMZZYXVUVYMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-19(2,3)25-18(24)23-16-11-17(15-6-4-5-9-21-15)22-14-8-7-12(20)10-13(14)16/h4-11H,1-3H3,(H,22,23,24).
What are the key properties of tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate?
tert-butyl N-(6-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate has a molecular weight of 400.28 g/mol, XLogP of 5.41, 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-bromo-2-pyridin-2-ylquinolin-4-yl)carbamate is sourced from PubChem (CID 22601624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).