N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide

C17H18N2O2S — CID 40946944

IUPACN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide
SMILESCCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21
InChIInChI=1S/C17H18N2O2S/c1-2-19-15-7-6-13(10-12(15)5-8-17(19)21)18-16(20)11-14-4-3-9-22-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,18,20)
InChIKeyKHMSFCMVHNTQCH-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.23
Rot. Bonds4

About N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide (PubChem CID 40946944) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide
PubChem CID40946944
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide
SMILESCCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21
InChIInChI=1S/C17H18N2O2S/c1-2-19-15-7-6-13(10-12(15)5-8-17(19)21)18-16(20)11-14-4-3-9-22-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,18,20)
InChIKeyKHMSFCMVHNTQCH-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 86791329
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-phenylphenyl)acetamide
CID 40946959
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 16826791
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 126786079
phenyl N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 27639376
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-thiophen-2-ylacetamide
CID 16930865
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-naphthalen-2-yloxyacetamide
CID 40946919
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-thiophen-2-ylurea
CID 30375764
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide (CID 40946944) is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide is CCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
The InChIKey is KHMSFCMVHNTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-19-15-7-6-13(10-12(15)5-8-17(19)21)18-16(20)11-14-4-3-9-22-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,18,20).
What are the key properties of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide?
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide has a molecular weight of 314.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 40946944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).