quinoline-5-carbaldehyde;hydrochloride

C10H8ClNO — CID 174461977

IUPACquinoline-5-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cccc2ncccc12
InChIInChI=1S/C10H7NO.ClH/c12-7-8-3-1-5-10-9(8)4-2-6-11-10;/h1-7H;1H
InChIKeyDMEHXRYFZXEGNO-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.47
Rot. Bonds1

About quinoline-5-carbaldehyde;hydrochloride

quinoline-5-carbaldehyde;hydrochloride (PubChem CID 174461977) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is quinoline-5-carbaldehyde;hydrochloride.

Molecular Properties

Compound Namequinoline-5-carbaldehyde;hydrochloride
PubChem CID174461977
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Namequinoline-5-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cccc2ncccc12
InChIInChI=1S/C10H7NO.ClH/c12-7-8-3-1-5-10-9(8)4-2-6-11-10;/h1-7H;1H
InChIKeyDMEHXRYFZXEGNO-UHFFFAOYSA-N
XLogP2.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinoline-5-carbaldehyde;hydrochloride?
The IUPAC name of quinoline-5-carbaldehyde;hydrochloride (CID 174461977) is quinoline-5-carbaldehyde;hydrochloride.
What is the SMILES notation for quinoline-5-carbaldehyde;hydrochloride?
The canonical SMILES for quinoline-5-carbaldehyde;hydrochloride is Cl.O=Cc1cccc2ncccc12.
What is the InChIKey of quinoline-5-carbaldehyde;hydrochloride?
The InChIKey is DMEHXRYFZXEGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO.ClH/c12-7-8-3-1-5-10-9(8)4-2-6-11-10;/h1-7H;1H.
What are the key properties of quinoline-5-carbaldehyde;hydrochloride?
quinoline-5-carbaldehyde;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-5-carbaldehyde;hydrochloride is sourced from PubChem (CID 174461977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).