N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide

C19H14N2O2S — CID 155515310

IUPACN-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(-c3cc4ccccc4s3)ccnc2c1O
InChIInChI=1S/C19H14N2O2S/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)
InChIKeyKAPOTKIHBJHRIZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.78
Rot. Bonds2

About N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide

N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide (PubChem CID 155515310) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide
PubChem CID155515310
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(-c3cc4ccccc4s3)ccnc2c1O
InChIInChI=1S/C19H14N2O2S/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)
InChIKeyKAPOTKIHBJHRIZ-UHFFFAOYSA-N
XLogP4.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide?
The IUPAC name of N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide (CID 155515310) is N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide.
What is the SMILES notation for N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide?
The canonical SMILES for N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide is CC(=O)Nc1ccc2c(-c3cc4ccccc4s3)ccnc2c1O.
What is the InChIKey of N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide?
The InChIKey is KAPOTKIHBJHRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22).
What are the key properties of N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide?
N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzothiophen-2-yl)-8-hydroxyquinolin-7-yl]acetamide is sourced from PubChem (CID 155515310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).