tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate

C15H17FN2O2 — CID 177323312

IUPACtert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1c(F)ccc2ncccc12
InChIInChI=1S/C15H17FN2O2/c1-15(2,3)20-14(19)18-9-11-10-5-4-8-17-13(10)7-6-12(11)16/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeySUDDAGYHABTZBD-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate

tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate (PubChem CID 177323312) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
PubChem CID177323312
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Nametert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1c(F)ccc2ncccc12
InChIInChI=1S/C15H17FN2O2/c1-15(2,3)20-14(19)18-9-11-10-5-4-8-17-13(10)7-6-12(11)16/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeySUDDAGYHABTZBD-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
CID 66523268
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 102224062
tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
tert-butyl N-(3-quinolin-6-ylprop-2-ynyl)carbamate
CID 11687791

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate (CID 177323312) is tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1c(F)ccc2ncccc12.
What is the InChIKey of tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate?
The InChIKey is SUDDAGYHABTZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-15(2,3)20-14(19)18-9-11-10-5-4-8-17-13(10)7-6-12(11)16/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate?
tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate has a molecular weight of 276.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate is sourced from PubChem (CID 177323312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).