tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate

C19H23BrN2O3 — CID 178046497

IUPACtert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(=O)n(C2CC2)c2ccc(Br)cc12)C(=O)OC(C)(C)C
InChIInChI=1S/C19H23BrN2O3/c1-19(2,3)25-18(24)21(4)11-12-9-17(23)22(14-6-7-14)16-8-5-13(20)10-15(12)16/h5,8-10,14H,6-7,11H2,1-4H3
InChIKeyFMPBLIZSDMRXBK-UHFFFAOYSA-N
MW407.31 g/mol
LogP4.47
Rot. Bonds3

About tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate

tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate (PubChem CID 178046497) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate
PubChem CID178046497
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC Nametert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(=O)n(C2CC2)c2ccc(Br)cc12)C(=O)OC(C)(C)C
InChIInChI=1S/C19H23BrN2O3/c1-19(2,3)25-18(24)21(4)11-12-9-17(23)22(14-6-7-14)16-8-5-13(20)10-15(12)16/h5,8-10,14H,6-7,11H2,1-4H3
InChIKeyFMPBLIZSDMRXBK-UHFFFAOYSA-N
XLogP4.47
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-bromo-2-methyl-1-oxoisoquinolin-4-yl)methyl]-N-methylcarbamate
CID 178046458
tert-butyl 3-bromo-6-methylcarbazole-9-carboxylate
CID 21072274
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
CID 59315049
6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one
CID 178046418
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]-N-cyclopropylcarbamate
CID 138985574
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
tert-butyl 3-(7-bromo-1-hydroxy-3-oxoisoquinolin-2-yl)pyrrolidine-1-carboxylate
CID 90985024
ditert-butyl 6-bromo-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-9,15-dicarboxylate
CID 58092199
tert-butyl 6-bromo-3-methyl-2-oxobenzimidazole-1-carboxylate
CID 170994216
tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
CID 156889220
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 139574399

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate (CID 178046497) is tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate is CN(Cc1cc(=O)n(C2CC2)c2ccc(Br)cc12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate?
The InChIKey is FMPBLIZSDMRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c1-19(2,3)25-18(24)21(4)11-12-9-17(23)22(14-6-7-14)16-8-5-13(20)10-15(12)16/h5,8-10,14H,6-7,11H2,1-4H3.
What are the key properties of tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate has a molecular weight of 407.31 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 178046497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).