tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate

C20H28BrNO2 — CID 132589432

IUPACtert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)c1cc(Br)cc2c1N(C(=O)OC(C)(C)C)C(C1CC1)CC2
InChIInChI=1S/C20H28BrNO2/c1-12(2)16-11-15(21)10-14-8-9-17(13-6-7-13)22(18(14)16)19(23)24-20(3,4)5/h10-13,17H,6-9H2,1-5H3
InChIKeyIXKJOVWUFKYCED-UHFFFAOYSA-N
MW394.35 g/mol
LogP6.04
Rot. Bonds2

About tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 132589432) has the molecular formula C20H28BrNO2 and a molecular weight of 394.35 g/mol. Its IUPAC name is tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID132589432
Molecular FormulaC20H28BrNO2
Molecular Weight394.35 g/mol
Exact Mass393.13
IUPAC Nametert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)c1cc(Br)cc2c1N(C(=O)OC(C)(C)C)C(C1CC1)CC2
InChIInChI=1S/C20H28BrNO2/c1-12(2)16-11-15(21)10-14-8-9-17(13-6-7-13)22(18(14)16)19(23)24-20(3,4)5/h10-13,17H,6-9H2,1-5H3
InChIKeyIXKJOVWUFKYCED-UHFFFAOYSA-N
XLogP6.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 8-bromo-2-cyclopropyl-6,7-difluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589462
tert-butyl 7-bromo-6-chloro-2-cyclopropyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589459
tert-butyl 6-bromo-8-methyl-2-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589231
tert-butyl 6-bromo-2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589158
tert-butyl 2-(4,4-difluorocyclohexyl)-5-oxopyrrolidine-1-carboxylate
CID 146633700
tert-butyl 5-bromo-7-methyl-2,3-dihydroindole-1-carboxylate
CID 153360716
tert-butyl 6-bromo-2-(3-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590188
tert-butyl 8-bromo-2-methyl-6-nitro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589325
tert-butyl (1S)-6-bromo-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 135332742
tert-butyl 7-bromo-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589404
tert-butyl (2R)-6-fluoro-2,8-dimethyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 125183597
tert-butyl 6-bromo-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589285

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 132589432) is tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)c1cc(Br)cc2c1N(C(=O)OC(C)(C)C)C(C1CC1)CC2.
What is the InChIKey of tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is IXKJOVWUFKYCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrNO2/c1-12(2)16-11-15(21)10-14-8-9-17(13-6-7-13)22(18(14)16)19(23)24-20(3,4)5/h10-13,17H,6-9H2,1-5H3.
What are the key properties of tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 394.35 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-2-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 132589432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).