tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

C19H22FN3O2 — CID 153288878

IUPACtert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C2CN(c3ccnc4ccc(F)cc34)CC21
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)25-18(24)22-17-13-9-23(10-14(13)17)16-6-7-21-15-5-4-11(20)8-12(15)16/h4-8,13-14,17H,9-10H2,1-3H3,(H,22,24)
InChIKeyJJHXMZRSRKAZKP-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (PubChem CID 153288878) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
PubChem CID153288878
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Nametert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C2CN(c3ccnc4ccc(F)cc34)CC21
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)25-18(24)22-17-13-9-23(10-14(13)17)16-6-7-21-15-5-4-11(20)8-12(15)16/h4-8,13-14,17H,9-10H2,1-3H3,(H,22,24)
InChIKeyJJHXMZRSRKAZKP-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate with MolForge

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Related Compounds

tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
tert-butyl N-[(3S)-1-(6-pyrimidin-2-ylquinolin-4-yl)piperidin-3-yl]carbamate
CID 123553559
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
tert-butyl 3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidine-1-carboxylate
CID 166110568
1-(2,4-difluorophenyl)-6-fluoro-7-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[4.1.0]heptan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19737299
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (CID 153288878) is tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is CC(C)(C)OC(=O)NC1C2CN(c3ccnc4ccc(F)cc34)CC21.
What is the InChIKey of tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The InChIKey is JJHXMZRSRKAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-19(2,3)25-18(24)22-17-13-9-23(10-14(13)17)16-6-7-21-15-5-4-11(20)8-12(15)16/h4-8,13-14,17H,9-10H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate has a molecular weight of 343.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is sourced from PubChem (CID 153288878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).