quinolin-8-yl thiophene-2-carboxylate

C14H9NO2S — CID 652774

IUPACquinolin-8-yl thiophene-2-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C14H9NO2S/c16-14(12-7-3-9-18-12)17-11-6-1-4-10-5-2-8-15-13(10)11/h1-9H
InChIKeyPJEKAGAQCVEPOW-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.52
Rot. Bonds2

About quinolin-8-yl thiophene-2-carboxylate

quinolin-8-yl thiophene-2-carboxylate (PubChem CID 652774) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is quinolin-8-yl thiophene-2-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl thiophene-2-carboxylate
PubChem CID652774
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Namequinolin-8-yl thiophene-2-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C14H9NO2S/c16-14(12-7-3-9-18-12)17-11-6-1-4-10-5-2-8-15-13(10)11/h1-9H
InChIKeyPJEKAGAQCVEPOW-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze quinolin-8-yl thiophene-2-carboxylate 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

Benzoxiquine
CID 6855
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
N-[2-(8-quinolinyloxy)ethyl]-2-thiophenecarboxamide
CID 1811238
5,7-Dichloro-8-quinolyl thiophene-2-carboxylate
CID 700833
quinolin-8-yl (E)-3-phenylprop-2-enoate
CID 701842
quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
CID 778948
Quinolin-8-yl thiophene-2-carboxylate hydrochloride
CID 6602601
2-Thiophenecarboxylic acid, 7-nitro-8-quinolinyl ester
CID 207004
8-Quinolyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 1117960
[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] Thiophene-2-carboxylate
CID 1534931
8-Quinolinyl 3-(2-furyl)acrylate
CID 1962944
2-quinolin-8-yloxy-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 50905837

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl thiophene-2-carboxylate?
The IUPAC name of quinolin-8-yl thiophene-2-carboxylate (CID 652774) is quinolin-8-yl thiophene-2-carboxylate.
What is the SMILES notation for quinolin-8-yl thiophene-2-carboxylate?
The canonical SMILES for quinolin-8-yl thiophene-2-carboxylate is O=C(Oc1cccc2cccnc12)c1cccs1.
What is the InChIKey of quinolin-8-yl thiophene-2-carboxylate?
The InChIKey is PJEKAGAQCVEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-14(12-7-3-9-18-12)17-11-6-1-4-10-5-2-8-15-13(10)11/h1-9H.
What are the key properties of quinolin-8-yl thiophene-2-carboxylate?
quinolin-8-yl thiophene-2-carboxylate has a molecular weight of 255.30 g/mol, XLogP of 3.52, 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 is sourced from PubChem (CID 652774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).