N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide

C18H18N2O3S — CID 176719635

IUPACN-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1cccs1)c1cc(O)c2cccnc2c1O
InChIInChI=1S/C18H18N2O3S/c1-10(2)18(23)20-15(14-6-4-8-24-14)12-9-13(21)11-5-3-7-19-16(11)17(12)22/h3-10,15,21-22H,1-2H3,(H,20,23)
InChIKeyUBMLMYRMGBKISM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.57
Rot. Bonds4

About N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide

N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide (PubChem CID 176719635) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
PubChem CID176719635
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1cccs1)c1cc(O)c2cccnc2c1O
InChIInChI=1S/C18H18N2O3S/c1-10(2)18(23)20-15(14-6-4-8-24-14)12-9-13(21)11-5-3-7-19-16(11)17(12)22/h3-10,15,21-22H,1-2H3,(H,20,23)
InChIKeyUBMLMYRMGBKISM-UHFFFAOYSA-N
XLogP3.57
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

7-[(S)-(2-methylpropanoylamino)-thiophen-2-ylmethyl]-5-nitroquinolin-8-olate
CID 7120585
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914
N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
CID 176719634
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 1084516
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 67171823
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide?
The IUPAC name of N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide (CID 176719635) is N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide?
The canonical SMILES for N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide is CC(C)C(=O)NC(c1cccs1)c1cc(O)c2cccnc2c1O.
What is the InChIKey of N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide?
The InChIKey is UBMLMYRMGBKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-10(2)18(23)20-15(14-6-4-8-24-14)12-9-13(21)11-5-3-7-19-16(11)17(12)22/h3-10,15,21-22H,1-2H3,(H,20,23).
What are the key properties of N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide?
N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide has a molecular weight of 342.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dihydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide is sourced from PubChem (CID 176719635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).