N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine

C17H17ClN2 — CID 63449092

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine
SMILESClc1ccc(NCC2CC3C=CC2C3)c2ncccc12
InChIInChI=1S/C17H17ClN2/c18-15-5-6-16(17-14(15)2-1-7-19-17)20-10-13-9-11-3-4-12(13)8-11/h1-7,11-13,20H,8-10H2
InChIKeyLZOYFFZYAYFYQA-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.51
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine (PubChem CID 63449092) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine
PubChem CID63449092
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine
SMILESClc1ccc(NCC2CC3C=CC2C3)c2ncccc12
InChIInChI=1S/C17H17ClN2/c18-15-5-6-16(17-14(15)2-1-7-19-17)20-10-13-9-11-3-4-12(13)8-11/h1-7,11-13,20H,8-10H2
InChIKeyLZOYFFZYAYFYQA-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine
CID 43759306
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine
CID 83163615
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
CID 64851147
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile
CID 116784057
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]quinolin-8-amine
CID 116784042
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
CID 103158392

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine (CID 63449092) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine is Clc1ccc(NCC2CC3C=CC2C3)c2ncccc12.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine?
The InChIKey is LZOYFFZYAYFYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-15-5-6-16(17-14(15)2-1-7-19-17)20-10-13-9-11-3-4-12(13)8-11/h1-7,11-13,20H,8-10H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine has a molecular weight of 284.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine is sourced from PubChem (CID 63449092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).