N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine

C17H16ClN3 — CID 115702813

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
SMILESClc1ccc(CNCCc2ccncc2)c2ncccc12
InChIInChI=1S/C17H16ClN3/c18-16-4-3-14(17-15(16)2-1-8-21-17)12-20-11-7-13-5-9-19-10-6-13/h1-6,8-10,20H,7,11-12H2
InChIKeyWKGFLHAKCJPMPU-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.62
Rot. Bonds5

About N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine

N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 115702813) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
PubChem CID115702813
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
SMILESClc1ccc(CNCCc2ccncc2)c2ncccc12
InChIInChI=1S/C17H16ClN3/c18-16-4-3-14(17-15(16)2-1-8-21-17)12-20-11-7-13-5-9-19-10-6-13/h1-6,8-10,20H,7,11-12H2
InChIKeyWKGFLHAKCJPMPU-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
N-[(5-chloroquinolin-8-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115697343
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
N-[(5-chloroquinolin-8-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 115697270
N-[(5-chloroquinolin-8-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 71969737
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
CID 103765844

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine (CID 115702813) is N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine is Clc1ccc(CNCCc2ccncc2)c2ncccc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is WKGFLHAKCJPMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-16-4-3-14(17-15(16)2-1-8-21-17)12-20-11-7-13-5-9-19-10-6-13/h1-6,8-10,20H,7,11-12H2.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine?
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 297.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 115702813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).