5-(5-chloro-3-methylpentoxy)quinoline

C15H18ClNO — CID 103044594

IUPAC5-(5-chloro-3-methylpentoxy)quinoline
SMILESCC(CCCl)CCOc1cccc2ncccc12
InChIInChI=1S/C15H18ClNO/c1-12(7-9-16)8-11-18-15-6-2-5-14-13(15)4-3-10-17-14/h2-6,10,12H,7-9,11H2,1H3
InChIKeyLLLFZELIEIXREY-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.27
Rot. Bonds6

About 5-(5-chloro-3-methylpentoxy)quinoline

5-(5-chloro-3-methylpentoxy)quinoline (PubChem CID 103044594) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-(5-chloro-3-methylpentoxy)quinoline.

Molecular Properties

Compound Name5-(5-chloro-3-methylpentoxy)quinoline
PubChem CID103044594
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name5-(5-chloro-3-methylpentoxy)quinoline
SMILESCC(CCCl)CCOc1cccc2ncccc12
InChIInChI=1S/C15H18ClNO/c1-12(7-9-16)8-11-18-15-6-2-5-14-13(15)4-3-10-17-14/h2-6,10,12H,7-9,11H2,1H3
InChIKeyLLLFZELIEIXREY-UHFFFAOYSA-N
XLogP4.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
2-amino-4-quinolin-5-yloxybutanenitrile
CID 103045532
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
N,2-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
N,3-dimethyl-1-quinolin-5-yloxypentan-2-amine
CID 103044444
2-quinolin-5-yloxyacetaldehyde
CID 103045247

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methylpentoxy)quinoline?
The IUPAC name of 5-(5-chloro-3-methylpentoxy)quinoline (CID 103044594) is 5-(5-chloro-3-methylpentoxy)quinoline.
What is the SMILES notation for 5-(5-chloro-3-methylpentoxy)quinoline?
The canonical SMILES for 5-(5-chloro-3-methylpentoxy)quinoline is CC(CCCl)CCOc1cccc2ncccc12.
What is the InChIKey of 5-(5-chloro-3-methylpentoxy)quinoline?
The InChIKey is LLLFZELIEIXREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-12(7-9-16)8-11-18-15-6-2-5-14-13(15)4-3-10-17-14/h2-6,10,12H,7-9,11H2,1H3.
What are the key properties of 5-(5-chloro-3-methylpentoxy)quinoline?
5-(5-chloro-3-methylpentoxy)quinoline has a molecular weight of 263.77 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-methylpentoxy)quinoline is sourced from PubChem (CID 103044594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).