N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide

C19H20N2O2S — CID 2927523

IUPACN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C19H20N2O2S/c1-12(2)11-16(22)21-18(15-6-4-10-24-15)14-8-7-13-5-3-9-20-17(13)19(14)23/h3-10,12,18,23H,11H2,1-2H3,(H,21,22)
InChIKeyMDLWLVWPYPTEPB-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.25
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide

N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide (PubChem CID 2927523) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide
PubChem CID2927523
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C19H20N2O2S/c1-12(2)11-16(22)21-18(15-6-4-10-24-15)14-8-7-13-5-3-9-20-17(13)19(14)23/h3-10,12,18,23H,11H2,1-2H3,(H,21,22)
InChIKeyMDLWLVWPYPTEPB-UHFFFAOYSA-N
XLogP4.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.25
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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Related Compounds

N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
N-[(4-dimethylaminophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129247
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-propionamide
CID 2876744
N-[(8-Hydroxy-5-nitro-quinolin-7-yl)-thiophen-2-yl-methyl]-propionamide
CID 2921716
Cambridge id 6961519
CID 2920793
N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
CID 2920952
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide
CID 2928736
N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-thienyl)methyl]butanamide
CID 2929884
7-[[4-(2-Hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]quinolin-8-ol
CID 3243517

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide (CID 2927523) is N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide is CC(C)CC(=O)NC(c1cccs1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide?
The InChIKey is MDLWLVWPYPTEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12(2)11-16(22)21-18(15-6-4-10-24-15)14-8-7-13-5-3-9-20-17(13)19(14)23/h3-10,12,18,23H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide?
N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide has a molecular weight of 340.45 g/mol, XLogP of 4.25, 5 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]-3-methylbutanamide is sourced from PubChem (CID 2927523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).