5-(5-chloroquinolin-8-yl)oxypentan-1-amine

C14H17ClN2O — CID 54965610

IUPAC5-(5-chloroquinolin-8-yl)oxypentan-1-amine
SMILESNCCCCCOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H17ClN2O/c15-12-6-7-13(18-10-3-1-2-8-16)14-11(12)5-4-9-17-14/h4-7,9H,1-3,8,10,16H2
InChIKeyLNJPTLXOTMHWHB-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.40
Rot. Bonds6

About 5-(5-chloroquinolin-8-yl)oxypentan-1-amine

5-(5-chloroquinolin-8-yl)oxypentan-1-amine (PubChem CID 54965610) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-(5-chloroquinolin-8-yl)oxypentan-1-amine.

Molecular Properties

Compound Name5-(5-chloroquinolin-8-yl)oxypentan-1-amine
PubChem CID54965610
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-(5-chloroquinolin-8-yl)oxypentan-1-amine
SMILESNCCCCCOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H17ClN2O/c15-12-6-7-13(18-10-3-1-2-8-16)14-11(12)5-4-9-17-14/h4-7,9H,1-3,8,10,16H2
InChIKeyLNJPTLXOTMHWHB-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.40
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

5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine
CID 71517727
O-dodecyl 2-(5-chloroquinolin-8-yl)oxyethanethioate
CID 19839509
2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
CID 12945983
CID 12945983
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
CID 2216428
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
CID 43752905

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloroquinolin-8-yl)oxypentan-1-amine?
The IUPAC name of 5-(5-chloroquinolin-8-yl)oxypentan-1-amine (CID 54965610) is 5-(5-chloroquinolin-8-yl)oxypentan-1-amine.
What is the SMILES notation for 5-(5-chloroquinolin-8-yl)oxypentan-1-amine?
The canonical SMILES for 5-(5-chloroquinolin-8-yl)oxypentan-1-amine is NCCCCCOc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-(5-chloroquinolin-8-yl)oxypentan-1-amine?
The InChIKey is LNJPTLXOTMHWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-6-7-13(18-10-3-1-2-8-16)14-11(12)5-4-9-17-14/h4-7,9H,1-3,8,10,16H2.
What are the key properties of 5-(5-chloroquinolin-8-yl)oxypentan-1-amine?
5-(5-chloroquinolin-8-yl)oxypentan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloroquinolin-8-yl)oxypentan-1-amine is sourced from PubChem (CID 54965610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).