tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate

C21H25BrN2O2 — CID 59297053

IUPACtert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1
InChIInChI=1S/C21H25BrN2O2/c1-21(2,3)26-20(25)23-18-12-16-11-17(22)9-10-19(16)24(14-18)13-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,23,25)
InChIKeyPCQGNBNWKXGSQH-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.91
Rot. Bonds3

About tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate

tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate (PubChem CID 59297053) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
PubChem CID59297053
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Nametert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1
InChIInChI=1S/C21H25BrN2O2/c1-21(2,3)26-20(25)23-18-12-16-11-17(22)9-10-19(16)24(14-18)13-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,23,25)
InChIKeyPCQGNBNWKXGSQH-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
CID 59778201
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
tert-butyl N-[1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]carbamate;tert-butyl N-[1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylcarbamate
CID 162147354
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
CID 68580973
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
methyl 1-benzyl-5-bromo-2,3-dihydroindole-2-carboxylate
CID 54545913
tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
CID 95242183
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 59297046
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate (CID 59297053) is tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate?
The InChIKey is PCQGNBNWKXGSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-21(2,3)26-20(25)23-18-12-16-11-17(22)9-10-19(16)24(14-18)13-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate?
tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate has a molecular weight of 417.35 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate is sourced from PubChem (CID 59297053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).