N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine

C16H18F2N4 — CID 133495022

IUPACN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine
SMILESFc1cc(F)c2nccc(NCC3CN4CCN3CC4)c2c1
InChIInChI=1S/C16H18F2N4/c17-11-7-13-15(1-2-19-16(13)14(18)8-11)20-9-12-10-21-3-5-22(12)6-4-21/h1-2,7-8,12H,3-6,9-10H2,(H,19,20)
InChIKeyGCNZEXRGPIRACW-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.92
Rot. Bonds3

About N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine (PubChem CID 133495022) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine.

Molecular Properties

Compound NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine
PubChem CID133495022
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine
SMILESFc1cc(F)c2nccc(NCC3CN4CCN3CC4)c2c1
InChIInChI=1S/C16H18F2N4/c17-11-7-13-15(1-2-19-16(13)14(18)8-11)20-9-12-10-21-3-5-22(12)6-4-21/h1-2,7-8,12H,3-6,9-10H2,(H,19,20)
InChIKeyGCNZEXRGPIRACW-UHFFFAOYSA-N
XLogP1.92
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine with MolForge

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Related Compounds

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 133399633
(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 99712353
3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
CID 91661517
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 133423726
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-methylquinazolin-4-amine
CID 102553522
6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
CID 133494089
N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine
CID 145200182
6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
CID 133494527
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133399512

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine?
The IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine (CID 133495022) is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine.
What is the SMILES notation for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine?
The canonical SMILES for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine is Fc1cc(F)c2nccc(NCC3CN4CCN3CC4)c2c1.
What is the InChIKey of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine?
The InChIKey is GCNZEXRGPIRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4/c17-11-7-13-15(1-2-19-16(13)14(18)8-11)20-9-12-10-21-3-5-22(12)6-4-21/h1-2,7-8,12H,3-6,9-10H2,(H,19,20).
What are the key properties of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine?
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine has a molecular weight of 304.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6,8-difluoroquinolin-4-amine is sourced from PubChem (CID 133495022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).