tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

C15H20BrNO2 — CID 86337029

IUPACtert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccc(Br)cc21
InChIInChI=1S/C15H20BrNO2/c1-10-7-8-17(14(18)19-15(2,3)4)13-6-5-11(16)9-12(10)13/h5-6,9-10H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyMTPMNEKSVFATOZ-SNVBAGLBSA-N
MW326.23 g/mol
LogP4.70
Rot. Bonds

About tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 86337029) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID86337029
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Nametert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccc(Br)cc21
InChIInChI=1S/C15H20BrNO2/c1-10-7-8-17(14(18)19-15(2,3)4)13-6-5-11(16)9-12(10)13/h5-6,9-10H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyMTPMNEKSVFATOZ-SNVBAGLBSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (4S)-4-methyl-6-propanoyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 158764462
tert-butyl 4-(4-bromo-2-cyclopropylphenyl)piperazine-1-carboxylate
CID 164662475
tert-butyl 4-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769418
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 7-bromo-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 57366378
tert-butyl 7-bromo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84645479
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 59665455
tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83764303
tert-butyl 4-[4-bromo-2-(4,4-diethylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769421
tert-butyl 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-1-carboxylate
CID 55978207
tert-butyl 4-(5-bromo-1,1-dihydroxy-3-methyl-3H-1,2-benzothiazol-2-yl)piperidine-1-carboxylate
CID 122529556

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 86337029) is tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccc(Br)cc21.
What is the InChIKey of tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is MTPMNEKSVFATOZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-7-8-17(14(18)19-15(2,3)4)13-6-5-11(16)9-12(10)13/h5-6,9-10H,7-8H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 326.23 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 86337029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).