quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate

C15H12N2O2S — CID 79240203

IUPACquinolin-4-ylmethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCc1ccnc2ccccc12
InChIInChI=1S/C15H12N2O2S/c16-12-6-8-20-14(12)15(18)19-9-10-5-7-17-13-4-2-1-3-11(10)13/h1-8H,9,16H2
InChIKeyCAZHYCZFXHXYTF-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.24
Rot. Bonds3

About quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate

quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate (PubChem CID 79240203) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Namequinolin-4-ylmethyl 3-aminothiophene-2-carboxylate
PubChem CID79240203
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Namequinolin-4-ylmethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCc1ccnc2ccccc12
InChIInChI=1S/C15H12N2O2S/c16-12-6-8-20-14(12)15(18)19-9-10-5-7-17-13-4-2-1-3-11(10)13/h1-8H,9,16H2
InChIKeyCAZHYCZFXHXYTF-UHFFFAOYSA-N
XLogP3.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate?
The IUPAC name of quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate (CID 79240203) is quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate.
What is the SMILES notation for quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate?
The canonical SMILES for quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate is Nc1ccsc1C(=O)OCc1ccnc2ccccc12.
What is the InChIKey of quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate?
The InChIKey is CAZHYCZFXHXYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-12-6-8-20-14(12)15(18)19-9-10-5-7-17-13-4-2-1-3-11(10)13/h1-8H,9,16H2.
What are the key properties of quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate?
quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 79240203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).