quinolin-8-yl thiophene-2-carboxylate;hydrochloride

C14H10ClNO2S — CID 6602601

IUPACquinolin-8-yl thiophene-2-carboxylate;hydrochloride
SMILESCl.O=C(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C14H9NO2S.ClH/c16-14(12-7-3-9-18-12)17-11-6-1-4-10-5-2-8-15-13(10)11;/h1-9H;1H
InChIKeyLYWBUZFSUSAVGV-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.94
Rot. Bonds2

About quinolin-8-yl thiophene-2-carboxylate;hydrochloride

quinolin-8-yl thiophene-2-carboxylate;hydrochloride (PubChem CID 6602601) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is quinolin-8-yl thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namequinolin-8-yl thiophene-2-carboxylate;hydrochloride
PubChem CID6602601
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Namequinolin-8-yl thiophene-2-carboxylate;hydrochloride
SMILESCl.O=C(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C14H9NO2S.ClH/c16-14(12-7-3-9-18-12)17-11-6-1-4-10-5-2-8-15-13(10)11;/h1-9H;1H
InChIKeyLYWBUZFSUSAVGV-UHFFFAOYSA-N
XLogP3.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl thiophene-2-carboxylate;hydrochloride?
The IUPAC name of quinolin-8-yl thiophene-2-carboxylate;hydrochloride (CID 6602601) is quinolin-8-yl thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for quinolin-8-yl thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for quinolin-8-yl thiophene-2-carboxylate;hydrochloride is Cl.O=C(Oc1cccc2cccnc12)c1cccs1.
What is the InChIKey of quinolin-8-yl thiophene-2-carboxylate;hydrochloride?
The InChIKey is LYWBUZFSUSAVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S.ClH/c16-14(12-7-3-9-18-12)17-11-6-1-4-10-5-2-8-15-13(10)11;/h1-9H;1H.
What are the key properties of quinolin-8-yl thiophene-2-carboxylate;hydrochloride?
quinolin-8-yl thiophene-2-carboxylate;hydrochloride has a molecular weight of 291.76 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 6602601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).