N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C23H22N2O3S — CID 6622403

IUPACN-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1
InChIInChI=1S/C23H22N2O3S/c1-4-25-17-11-7-6-10-15(17)21-16(22(25)26)14-20(29-21)23(27)24(3)18-12-8-9-13-19(18)28-5-2/h6-14H,4-5H2,1-3H3
InChIKeyNYTBWYCLABLHON-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.91
Rot. Bonds5

About N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622403) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622403
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1
InChIInChI=1S/C23H22N2O3S/c1-4-25-17-11-7-6-10-15(17)21-16(22(25)26)14-20(29-21)23(27)24(3)18-12-8-9-13-19(18)28-5-2/h6-14H,4-5H2,1-3H3
InChIKeyNYTBWYCLABLHON-UHFFFAOYSA-N
XLogP4.91
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
1-Phenyl-4-{4H-thieno[3,2-C]chromene-2-carbonyl}piperazine
CID 7411867
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-(2-thienyl)isoquinolin-1(2H)-one
CID 46893146
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10473483
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10809188
(5,6-Dihydro-4H-cyclopenta[b]thiophen-2-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 2566372
5-Ethyl-N-(2-methoxy-5-methylphenyl)-N-methyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16193861
Piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 19011656
1-(2-Ethoxyphenyl)-4-[(4-ethyl-5-methyl-3-thienyl)carbonyl]piperazine
CID 1247610

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 6622403) is N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCOc1ccccc1N(C)C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is NYTBWYCLABLHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-4-25-17-11-7-6-10-15(17)21-16(22(25)26)14-20(29-21)23(27)24(3)18-12-8-9-13-19(18)28-5-2/h6-14H,4-5H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).