N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide

C22H18N2O2S — CID 2029924

IUPACN-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide
SMILESCCn1c(NC(=O)c2ccccc2)c(-c2cccs2)c(=O)c2ccccc21
InChIInChI=1S/C22H18N2O2S/c1-2-24-17-12-7-6-11-16(17)20(25)19(18-13-8-14-27-18)21(24)23-22(26)15-9-4-3-5-10-15/h3-14H,2H2,1H3,(H,23,26)
InChIKeyWZCUCRLNCLQPSF-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.00
Rot. Bonds4

About N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide

N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide (PubChem CID 2029924) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide
PubChem CID2029924
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide
SMILESCCn1c(NC(=O)c2ccccc2)c(-c2cccs2)c(=O)c2ccccc21
InChIInChI=1S/C22H18N2O2S/c1-2-24-17-12-7-6-11-16(17)20(25)19(18-13-8-14-27-18)21(24)23-22(26)15-9-4-3-5-10-15/h3-14H,2H2,1H3,(H,23,26)
InChIKeyWZCUCRLNCLQPSF-UHFFFAOYSA-N
XLogP5.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
The IUPAC name of N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide (CID 2029924) is N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide.
What is the SMILES notation for N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
The canonical SMILES for N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide is CCn1c(NC(=O)c2ccccc2)c(-c2cccs2)c(=O)c2ccccc21.
What is the InChIKey of N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
The InChIKey is WZCUCRLNCLQPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-2-24-17-12-7-6-11-16(17)20(25)19(18-13-8-14-27-18)21(24)23-22(26)15-9-4-3-5-10-15/h3-14H,2H2,1H3,(H,23,26).
What are the key properties of N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide is sourced from PubChem (CID 2029924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).