tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate

C14H19ClN2O2 — CID 83763379

IUPACtert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)Cc2cccc(Cl)c21
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-8-10(16)7-9-5-4-6-11(15)12(9)17/h4-6,10H,7-8,16H2,1-3H3
InChIKeyXUZGGUOPSBMZIZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.96
Rot. Bonds

About tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 83763379) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID83763379
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nametert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)Cc2cccc(Cl)c21
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-8-10(16)7-9-5-4-6-11(15)12(9)17/h4-6,10H,7-8,16H2,1-3H3
InChIKeyXUZGGUOPSBMZIZ-UHFFFAOYSA-N
XLogP2.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate (CID 83763379) is tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CC(N)Cc2cccc(Cl)c21.
What is the InChIKey of tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is XUZGGUOPSBMZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-8-10(16)7-9-5-4-6-11(15)12(9)17/h4-6,10H,7-8,16H2,1-3H3.
What are the key properties of tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 282.77 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 83763379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).