N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide

C16H13ClN2O2S — CID 2920793

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)
InChIKeyUZLBHGBBHNHZNS-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.88
Rot. Bonds3

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide (PubChem CID 2920793) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide
PubChem CID2920793
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)
InChIKeyUZLBHGBBHNHZNS-UHFFFAOYSA-N
XLogP3.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide (CID 2920793) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide is CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is UZLBHGBBHNHZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 332.81 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 2920793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).