N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine

C15H19ClN2 — CID 106167935

IUPACN-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine
SMILESCCC(C)(CCCl)Nc1ccnc2ccccc12
InChIInChI=1S/C15H19ClN2/c1-3-15(2,9-10-16)18-14-8-11-17-13-7-5-4-6-12(13)14/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyWRNLTRFTKQUZDE-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.44
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine

N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine (PubChem CID 106167935) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine
PubChem CID106167935
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine
SMILESCCC(C)(CCCl)Nc1ccnc2ccccc12
InChIInChI=1S/C15H19ClN2/c1-3-15(2,9-10-16)18-14-8-11-17-13-7-5-4-6-12(13)14/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyWRNLTRFTKQUZDE-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chloroquine
CID 2719
Quinoline
CID 7047
4-Methylquinoline
CID 10285
(+-)-Desethylhydroxychloroquine
CID 71826
8-Methylquinoline
CID 11910
3-Aminoquinoline
CID 11375
(+-)-Desethylchloroquine
CID 95478
3-Methylquinoline
CID 11926
(+-)-Chloroquine diphosphate
CID 83818
5-Aminoquinoline
CID 11911
6-Chloroquinoline
CID 69163
6-Aminoquinoline
CID 11373

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine (CID 106167935) is N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine is CCC(C)(CCCl)Nc1ccnc2ccccc12.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine?
The InChIKey is WRNLTRFTKQUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-3-15(2,9-10-16)18-14-8-11-17-13-7-5-4-6-12(13)14/h4-8,11H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine?
N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine has a molecular weight of 262.78 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)quinolin-4-amine is sourced from PubChem (CID 106167935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).