1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite

C11H11Cl2NO — CID 69431777

IUPAC1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite
SMILESC=C(OCl)N1CCCc2cccc(Cl)c21
InChIInChI=1S/C11H11Cl2NO/c1-8(15-13)14-7-3-5-9-4-2-6-10(12)11(9)14/h2,4,6H,1,3,5,7H2
InChIKeyPBGYKSYYDHSBGY-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.73
Rot. Bonds2

About 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite

1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite (PubChem CID 69431777) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite.

Molecular Properties

Compound Name1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite
PubChem CID69431777
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite
SMILESC=C(OCl)N1CCCc2cccc(Cl)c21
InChIInChI=1S/C11H11Cl2NO/c1-8(15-13)14-7-3-5-9-4-2-6-10(12)11(9)14/h2,4,6H,1,3,5,7H2
InChIKeyPBGYKSYYDHSBGY-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite?
The IUPAC name of 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite (CID 69431777) is 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite.
What is the SMILES notation for 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite?
The canonical SMILES for 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite is C=C(OCl)N1CCCc2cccc(Cl)c21.
What is the InChIKey of 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite?
The InChIKey is PBGYKSYYDHSBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-8(15-13)14-7-3-5-9-4-2-6-10(12)11(9)14/h2,4,6H,1,3,5,7H2.
What are the key properties of 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite?
1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite has a molecular weight of 244.12 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite is sourced from PubChem (CID 69431777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).