tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate

C14H19BrN2O2 — CID 83764303

IUPACtert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)Cc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-8-11(16)7-9-6-10(15)4-5-12(9)17/h4-6,11H,7-8,16H2,1-3H3
InChIKeyGCFXSFPOWUVGDN-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.07
Rot. Bonds

About tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 83764303) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID83764303
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Nametert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)Cc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-8-11(16)7-9-6-10(15)4-5-12(9)17/h4-6,11H,7-8,16H2,1-3H3
InChIKeyGCFXSFPOWUVGDN-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-5-bromo-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
CID 102395681
tert-butyl (2R)-5-bromo-2-[(E)-3-oxobut-1-enyl]-2,3-dihydroindole-1-carboxylate
CID 102395682
tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83763379
tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86337029
5-bromo-2,3-dihydro-1H-indole;tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
CID 158223864
tert-butyl 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-1-carboxylate
CID 55978207
tert-butyl (2S)-5-bromo-2-(2-methoxyacetyl)-2,3-dihydroindole-1-carboxylate
CID 11164566
tert-butyl 7-bromo-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 57366378
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl 6-methyl-3-methylsulfonyloxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118026029
tert-butyl 4-(4-bromo-2-cyclopropylphenyl)piperazine-1-carboxylate
CID 164662475
tert-butyl 7-bromo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84645479

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate (CID 83764303) is tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CC(N)Cc2cc(Br)ccc21.
What is the InChIKey of tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is GCFXSFPOWUVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-8-11(16)7-9-6-10(15)4-5-12(9)17/h4-6,11H,7-8,16H2,1-3H3.
What are the key properties of tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 327.22 g/mol, XLogP of 3.07, 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-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 83764303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).