N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine

C16H18ClN3 — CID 60927459

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
SMILESClc1ccc(NC2CN3CCC2CC3)c2ncccc12
InChIInChI=1S/C16H18ClN3/c17-13-3-4-14(16-12(13)2-1-7-18-16)19-15-10-20-8-5-11(15)6-9-20/h1-4,7,11,15,19H,5-6,8-10H2
InChIKeyLJNZSKDGPLETAK-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.39
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine (PubChem CID 60927459) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
PubChem CID60927459
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
SMILESClc1ccc(NC2CN3CCC2CC3)c2ncccc12
InChIInChI=1S/C16H18ClN3/c17-13-3-4-14(16-12(13)2-1-7-18-16)19-15-10-20-8-5-11(15)6-9-20/h1-4,7,11,15,19H,5-6,8-10H2
InChIKeyLJNZSKDGPLETAK-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43708005
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine
CID 115466354
5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
CID 64500044
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
CID 60927567
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912
5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol
CID 43743060
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
CID 64851147
N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide
CID 61253332
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine (CID 60927459) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine is Clc1ccc(NC2CN3CCC2CC3)c2ncccc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine?
The InChIKey is LJNZSKDGPLETAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-13-3-4-14(16-12(13)2-1-7-18-16)19-15-10-20-8-5-11(15)6-9-20/h1-4,7,11,15,19H,5-6,8-10H2.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine has a molecular weight of 287.79 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine is sourced from PubChem (CID 60927459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).