(1-methyl-8aH-quinolin-8-yl) hypochlorite

C10H10ClNO — CID 142319233

IUPAC(1-methyl-8aH-quinolin-8-yl) hypochlorite
SMILESCN1C=CC=C2C=CC=C(OCl)C21
InChIInChI=1S/C10H10ClNO/c1-12-7-3-5-8-4-2-6-9(13-11)10(8)12/h2-7,10H,1H3
InChIKeyAHDATJDRIMGGPQ-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.36
Rot. Bonds1

About (1-methyl-8aH-quinolin-8-yl) hypochlorite

(1-methyl-8aH-quinolin-8-yl) hypochlorite (PubChem CID 142319233) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (1-methyl-8aH-quinolin-8-yl) hypochlorite.

Molecular Properties

Compound Name(1-methyl-8aH-quinolin-8-yl) hypochlorite
PubChem CID142319233
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(1-methyl-8aH-quinolin-8-yl) hypochlorite
SMILESCN1C=CC=C2C=CC=C(OCl)C21
InChIInChI=1S/C10H10ClNO/c1-12-7-3-5-8-4-2-6-9(13-11)10(8)12/h2-7,10H,1H3
InChIKeyAHDATJDRIMGGPQ-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-8aH-quinolin-8-yl) hypochlorite?
The IUPAC name of (1-methyl-8aH-quinolin-8-yl) hypochlorite (CID 142319233) is (1-methyl-8aH-quinolin-8-yl) hypochlorite.
What is the SMILES notation for (1-methyl-8aH-quinolin-8-yl) hypochlorite?
The canonical SMILES for (1-methyl-8aH-quinolin-8-yl) hypochlorite is CN1C=CC=C2C=CC=C(OCl)C21.
What is the InChIKey of (1-methyl-8aH-quinolin-8-yl) hypochlorite?
The InChIKey is AHDATJDRIMGGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-12-7-3-5-8-4-2-6-9(13-11)10(8)12/h2-7,10H,1H3.
What are the key properties of (1-methyl-8aH-quinolin-8-yl) hypochlorite?
(1-methyl-8aH-quinolin-8-yl) hypochlorite has a molecular weight of 195.65 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-8aH-quinolin-8-yl) hypochlorite is sourced from PubChem (CID 142319233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).