8aH-quinolin-8-one;hydrochloride

C9H8ClNO — CID 162307222

IUPAC8aH-quinolin-8-one;hydrochloride
SMILESCl.O=C1C=CC=C2C=CC=NC12
InChIInChI=1S/C9H7NO.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,9H;1H
InChIKeyAFXNOVDALLTBCT-UHFFFAOYSA-N
MW181.62 g/mol
LogP1.48
Rot. Bonds

About 8aH-quinolin-8-one;hydrochloride

8aH-quinolin-8-one;hydrochloride (PubChem CID 162307222) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 8aH-quinolin-8-one;hydrochloride.

Molecular Properties

Compound Name8aH-quinolin-8-one;hydrochloride
PubChem CID162307222
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name8aH-quinolin-8-one;hydrochloride
SMILESCl.O=C1C=CC=C2C=CC=NC12
InChIInChI=1S/C9H7NO.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,9H;1H
InChIKeyAFXNOVDALLTBCT-UHFFFAOYSA-N
XLogP1.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8aH-quinolin-8-one;hydrochloride?
The IUPAC name of 8aH-quinolin-8-one;hydrochloride (CID 162307222) is 8aH-quinolin-8-one;hydrochloride.
What is the SMILES notation for 8aH-quinolin-8-one;hydrochloride?
The canonical SMILES for 8aH-quinolin-8-one;hydrochloride is Cl.O=C1C=CC=C2C=CC=NC12.
What is the InChIKey of 8aH-quinolin-8-one;hydrochloride?
The InChIKey is AFXNOVDALLTBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,9H;1H.
What are the key properties of 8aH-quinolin-8-one;hydrochloride?
8aH-quinolin-8-one;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-quinolin-8-one;hydrochloride is sourced from PubChem (CID 162307222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).