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

C16H14N2O2S — CID 2921667

IUPACN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C16H14N2O2S/c1-10(19)18-15(13-5-3-9-21-13)12-7-6-11-4-2-8-17-14(11)16(12)20/h2-9,15,20H,1H3,(H,18,19)
InChIKeyIHMQFBFTOWOQNP-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.23
Rot. Bonds3

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

N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide (PubChem CID 2921667) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide
PubChem CID2921667
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C16H14N2O2S/c1-10(19)18-15(13-5-3-9-21-13)12-7-6-11-4-2-8-17-14(11)16(12)20/h2-9,15,20H,1H3,(H,18,19)
InChIKeyIHMQFBFTOWOQNP-UHFFFAOYSA-N
XLogP3.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.23
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-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide (CID 2921667) is N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide is CC(=O)NC(c1cccs1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is IHMQFBFTOWOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10(19)18-15(13-5-3-9-21-13)12-7-6-11-4-2-8-17-14(11)16(12)20/h2-9,15,20H,1H3,(H,18,19).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide?
N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.23, 3 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]acetamide is sourced from PubChem (CID 2921667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).