8-[2-(chloromethyl)prop-2-enoxy]quinoline

C13H12ClNO — CID 103066009

IUPAC8-[2-(chloromethyl)prop-2-enoxy]quinoline
SMILESC=C(CCl)COc1cccc2cccnc12
InChIInChI=1S/C13H12ClNO/c1-10(8-14)9-16-12-6-2-4-11-5-3-7-15-13(11)12/h2-7H,1,8-9H2
InChIKeyZYDBLMYVFKMURH-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.41
Rot. Bonds4

About 8-[2-(chloromethyl)prop-2-enoxy]quinoline

8-[2-(chloromethyl)prop-2-enoxy]quinoline (PubChem CID 103066009) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 8-[2-(chloromethyl)prop-2-enoxy]quinoline.

Molecular Properties

Compound Name8-[2-(chloromethyl)prop-2-enoxy]quinoline
PubChem CID103066009
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name8-[2-(chloromethyl)prop-2-enoxy]quinoline
SMILESC=C(CCl)COc1cccc2cccnc12
InChIInChI=1S/C13H12ClNO/c1-10(8-14)9-16-12-6-2-4-11-5-3-7-15-13(11)12/h2-7H,1,8-9H2
InChIKeyZYDBLMYVFKMURH-UHFFFAOYSA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[2-(chloromethyl)prop-2-enoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline
CID 15268948
8-(chloromethoxy)quinoline
CID 79531226
2-quinolin-8-yloxyacetate
CID 6950984
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832
8-(6-chlorohexoxy)quinoline
CID 62228191
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone
CID 102035670
2-quinolin-8-yloxyethanamine
CID 17174906
2-quinolin-8-yloxyethylhydrazine
CID 82126133
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859

Frequently Asked Questions

What is the IUPAC name of 8-[2-(chloromethyl)prop-2-enoxy]quinoline?
The IUPAC name of 8-[2-(chloromethyl)prop-2-enoxy]quinoline (CID 103066009) is 8-[2-(chloromethyl)prop-2-enoxy]quinoline.
What is the SMILES notation for 8-[2-(chloromethyl)prop-2-enoxy]quinoline?
The canonical SMILES for 8-[2-(chloromethyl)prop-2-enoxy]quinoline is C=C(CCl)COc1cccc2cccnc12.
What is the InChIKey of 8-[2-(chloromethyl)prop-2-enoxy]quinoline?
The InChIKey is ZYDBLMYVFKMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-10(8-14)9-16-12-6-2-4-11-5-3-7-15-13(11)12/h2-7H,1,8-9H2.
What are the key properties of 8-[2-(chloromethyl)prop-2-enoxy]quinoline?
8-[2-(chloromethyl)prop-2-enoxy]quinoline has a molecular weight of 233.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(chloromethyl)prop-2-enoxy]quinoline is sourced from PubChem (CID 103066009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).