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

C20H23N3O3S — CID 5309831

IUPAC5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2c2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-2-23-16-6-4-3-5-14(16)18-15(20(23)25)13-17(27-18)19(24)21-7-8-22-9-11-26-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,21,24)
InChIKeyMXJJVVIFUYGGII-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.30
Rot. Bonds5

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

5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 5309831) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID5309831
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2c2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-2-23-16-6-4-3-5-14(16)18-15(20(23)25)13-17(27-18)19(24)21-7-8-22-9-11-26-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,21,24)
InChIKeyMXJJVVIFUYGGII-UHFFFAOYSA-N
XLogP2.30
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 24985915
N-(2-amino-5-thiophen-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 153555143
N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
8-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 3570020
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
8-methyl-4-oxo-N,N-dipropyl-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6620052
8-Methyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 6622788
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
5-ethyl-N-isopropyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16193902
N-(2-methoxyethyl)-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 20855952
5-Ethyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 20865361

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 5309831) is 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2c2ccccc21.
What is the InChIKey of 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is MXJJVVIFUYGGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-23-16-6-4-3-5-14(16)18-15(20(23)25)13-17(27-18)19(24)21-7-8-22-9-11-26-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,21,24).
What are the key properties of 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5309831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).