N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C17H19ClN2 — CID 115697528

IUPACN-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESClc1ccc(CNC2CC3CCC2C3)c2ncccc12
InChIInChI=1S/C17H19ClN2/c18-15-6-5-13(17-14(15)2-1-7-19-17)10-20-16-9-11-3-4-12(16)8-11/h1-2,5-7,11-12,16,20H,3-4,8-10H2
InChIKeyHYLZAIVIDQZVGY-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.17
Rot. Bonds3

About N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115697528) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115697528
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESClc1ccc(CNC2CC3CCC2C3)c2ncccc12
InChIInChI=1S/C17H19ClN2/c18-15-6-5-13(17-14(15)2-1-7-19-17)10-20-16-9-11-3-4-12(16)8-11/h1-2,5-7,11-12,16,20H,3-4,8-10H2
InChIKeyHYLZAIVIDQZVGY-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580673
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 98119416
N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine
CID 115959439
N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115764370
N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine
CID 60506252
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
CID 115697510
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 115697528) is N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Clc1ccc(CNC2CC3CCC2C3)c2ncccc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HYLZAIVIDQZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-6-5-13(17-14(15)2-1-7-19-17)10-20-16-9-11-3-4-12(16)8-11/h1-2,5-7,11-12,16,20H,3-4,8-10H2.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 286.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115697528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).