hydron;quinolin-8-yl thiophene-2-carboxylate;chloride

C14H10ClNO2S — CID 652773

IUPAChydron;quinolin-8-yl thiophene-2-carboxylate;chloride
SMILESO=C(Oc1cccc2cccnc12)c1cccs1.[Cl-].[H+]
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
LogP0.63
Rot. Bonds2

About hydron;quinolin-8-yl thiophene-2-carboxylate;chloride

hydron;quinolin-8-yl thiophene-2-carboxylate;chloride (PubChem CID 652773) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is hydron;quinolin-8-yl thiophene-2-carboxylate;chloride.

Molecular Properties

Compound Namehydron;quinolin-8-yl thiophene-2-carboxylate;chloride
PubChem CID652773
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Namehydron;quinolin-8-yl thiophene-2-carboxylate;chloride
SMILESO=C(Oc1cccc2cccnc12)c1cccs1.[Cl-].[H+]
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
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydron;quinolin-8-yl thiophene-2-carboxylate;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylquinolin-8-yl) thiophene-2-carboxylate
CID 2858152
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
CID 2395878
[2-(pyrimidin-2-ylamino)phenyl] thiophene-2-carboxylate
CID 154635114
quinolin-8-yl 2-ethenylbenzoate
CID 162003110
quinolin-8-yl 1-hydroxynaphthalene-2-carboxylate
CID 90474305
quinolin-8-yl 3-[oxo-[oxo-(3-oxo-3-quinolin-8-yloxypropyl)germyl]oxygermyl]propanoate
CID 11534805
(2,6-dimethylphenyl) thiophene-2-carboxylate
CID 23010851
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
quinolin-8-yl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 1194114
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169

Frequently Asked Questions

What is the IUPAC name of hydron;quinolin-8-yl thiophene-2-carboxylate;chloride?
The IUPAC name of hydron;quinolin-8-yl thiophene-2-carboxylate;chloride (CID 652773) is hydron;quinolin-8-yl thiophene-2-carboxylate;chloride.
What is the SMILES notation for hydron;quinolin-8-yl thiophene-2-carboxylate;chloride?
The canonical SMILES for hydron;quinolin-8-yl thiophene-2-carboxylate;chloride is O=C(Oc1cccc2cccnc12)c1cccs1.[Cl-].[H+].
What is the InChIKey of hydron;quinolin-8-yl thiophene-2-carboxylate;chloride?
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 hydron;quinolin-8-yl thiophene-2-carboxylate;chloride?
hydron;quinolin-8-yl thiophene-2-carboxylate;chloride has a molecular weight of 291.76 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;quinolin-8-yl thiophene-2-carboxylate;chloride is sourced from PubChem (CID 652773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).