5H-quinolin-3-one;hydrochloride

C9H8ClNO — CID 70514530

IUPAC5H-quinolin-3-one;hydrochloride
SMILESCl.O=C1C=NC2=CC=CCC2=C1
InChIInChI=1S/C9H7NO.ClH/c11-8-5-7-3-1-2-4-9(7)10-6-8;/h1-2,4-6H,3H2;1H
InChIKeyDNDCANJOWNJCPL-UHFFFAOYSA-N
MW181.62 g/mol
LogP1.83
Rot. Bonds

About 5H-quinolin-3-one;hydrochloride

5H-quinolin-3-one;hydrochloride (PubChem CID 70514530) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 5H-quinolin-3-one;hydrochloride.

Molecular Properties

Compound Name5H-quinolin-3-one;hydrochloride
PubChem CID70514530
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name5H-quinolin-3-one;hydrochloride
SMILESCl.O=C1C=NC2=CC=CCC2=C1
InChIInChI=1S/C9H7NO.ClH/c11-8-5-7-3-1-2-4-9(7)10-6-8;/h1-2,4-6H,3H2;1H
InChIKeyDNDCANJOWNJCPL-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-quinolin-3-one;hydrochloride?
The IUPAC name of 5H-quinolin-3-one;hydrochloride (CID 70514530) is 5H-quinolin-3-one;hydrochloride.
What is the SMILES notation for 5H-quinolin-3-one;hydrochloride?
The canonical SMILES for 5H-quinolin-3-one;hydrochloride is Cl.O=C1C=NC2=CC=CCC2=C1.
What is the InChIKey of 5H-quinolin-3-one;hydrochloride?
The InChIKey is DNDCANJOWNJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.ClH/c11-8-5-7-3-1-2-4-9(7)10-6-8;/h1-2,4-6H,3H2;1H.
What are the key properties of 5H-quinolin-3-one;hydrochloride?
5H-quinolin-3-one;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-quinolin-3-one;hydrochloride is sourced from PubChem (CID 70514530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).