quinoline-3-carbonyl chloride

C10H6ClNO — CID 11030631

IUPACquinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2ccccc2c1
InChIInChI=1S/C10H6ClNO/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H
InChIKeyHNUSZIQSLZBZTO-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.61
Rot. Bonds1

About quinoline-3-carbonyl chloride

quinoline-3-carbonyl chloride (PubChem CID 11030631) has the molecular formula C10H6ClNO and a molecular weight of 191.62 g/mol. Its IUPAC name is quinoline-3-carbonyl chloride.

Molecular Properties

Compound Namequinoline-3-carbonyl chloride
PubChem CID11030631
Molecular FormulaC10H6ClNO
Molecular Weight191.62 g/mol
Exact Mass191.01
IUPAC Namequinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2ccccc2c1
InChIInChI=1S/C10H6ClNO/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H
InChIKeyHNUSZIQSLZBZTO-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinoline-3-carbonyl chloride?
The IUPAC name of quinoline-3-carbonyl chloride (CID 11030631) is quinoline-3-carbonyl chloride.
What is the SMILES notation for quinoline-3-carbonyl chloride?
The canonical SMILES for quinoline-3-carbonyl chloride is O=C(Cl)c1cnc2ccccc2c1.
What is the InChIKey of quinoline-3-carbonyl chloride?
The InChIKey is HNUSZIQSLZBZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H.
What are the key properties of quinoline-3-carbonyl chloride?
quinoline-3-carbonyl chloride has a molecular weight of 191.62 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-3-carbonyl chloride is sourced from PubChem (CID 11030631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).