N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide

C17H16N2O2S — CID 3136123

IUPACN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide
SMILESCCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H16N2O2S/c1-2-14(20)19-16(13-6-4-10-22-13)12-8-7-11-5-3-9-18-15(11)17(12)21/h3-10,16,21H,2H2,1H3,(H,19,20)
InChIKeyLKWVVCSJBMZGAM-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.62
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide

N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide (PubChem CID 3136123) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide
PubChem CID3136123
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide
SMILESCCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H16N2O2S/c1-2-14(20)19-16(13-6-4-10-22-13)12-8-7-11-5-3-9-18-15(11)17(12)21/h3-10,16,21H,2H2,1H3,(H,19,20)
InChIKeyLKWVVCSJBMZGAM-UHFFFAOYSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide (CID 3136123) is N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide is CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide?
The InChIKey is LKWVVCSJBMZGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-14(20)19-16(13-6-4-10-22-13)12-8-7-11-5-3-9-18-15(11)17(12)21/h3-10,16,21H,2H2,1H3,(H,19,20).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide?
N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide has a molecular weight of 312.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide is sourced from PubChem (CID 3136123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).