N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide

C18H20N2O2S — CID 131659491

IUPACN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide
SMILESC=CCn1c2c(ccc1=O)CC(NC(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H20N2O2S/c1-2-9-20-16-7-6-14(11-13(16)5-8-18(20)22)19-17(21)12-15-4-3-10-23-15/h2-5,8,10,14H,1,6-7,9,11-12H2,(H,19,21)
InChIKeyQUIPNJZILVNOHZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.31
Rot. Bonds5

About N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide

N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide (PubChem CID 131659491) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide
PubChem CID131659491
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide
SMILESC=CCn1c2c(ccc1=O)CC(NC(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H20N2O2S/c1-2-9-20-16-7-6-14(11-13(16)5-8-18(20)22)19-17(21)12-15-4-3-10-23-15/h2-5,8,10,14H,1,6-7,9,11-12H2,(H,19,21)
InChIKeyQUIPNJZILVNOHZ-UHFFFAOYSA-N
XLogP2.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide 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

N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
CID 97389978
N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide
CID 97389951
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-3-(1H-pyrrol-2-yl)propanamide
CID 131683006
ethyl 2-[(3R)-3-[(2-thiophen-2-ylacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
CID 123944472
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119458002
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
CID 131682231
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
CID 100715401

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide (CID 131659491) is N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide is C=CCn1c2c(ccc1=O)CC(NC(=O)Cc1cccs1)CC2.
What is the InChIKey of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
The InChIKey is QUIPNJZILVNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-9-20-16-7-6-14(11-13(16)5-8-18(20)22)19-17(21)12-15-4-3-10-23-15/h2-5,8,10,14H,1,6-7,9,11-12H2,(H,19,21).
What are the key properties of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide has a molecular weight of 328.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 131659491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).