3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide

C19H21N3O3S — CID 86298606

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)sc2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C19H21N3O3S/c1-12-15-17(13-4-2-3-5-14(13)18(23)21-15)26-16(12)19(24)20-6-7-22-8-10-25-11-9-22/h2-5H,6-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyZNTLLJAZXHKDQU-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.11
Rot. Bonds4

About 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide (PubChem CID 86298606) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide
PubChem CID86298606
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)sc2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C19H21N3O3S/c1-12-15-17(13-4-2-3-5-14(13)18(23)21-15)26-16(12)19(24)20-6-7-22-8-10-25-11-9-22/h2-5H,6-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyZNTLLJAZXHKDQU-UHFFFAOYSA-N
XLogP2.11
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 20855952
5-Methyl-N-[3-(4-methylpiperazin-1-YL)propyl]-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5307923
N-(3-morpholin-4-ylpropyl)-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 3237845
5-ethyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 5309831
N-(2,2-dimethoxyethyl)-5-ethyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6622439
4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 15990987
5-Ethyl-N-(3-methoxypropyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16008952
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 16008976
5-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 16008978
N-{2-[butyl(ethyl)amino]ethyl}-5-ethyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16008982
N-{2-[butyl(ethyl)amino]ethyl}-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 20857484
2-(4-ethylpiperazine-1-carbonyl)-3-methyl-4H-thieno[3,2-c]isoquinolin-5-one
CID 86298603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide (CID 86298606) is 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)sc2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide?
The InChIKey is ZNTLLJAZXHKDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-15-17(13-4-2-3-5-14(13)18(23)21-15)26-16(12)19(24)20-6-7-22-8-10-25-11-9-22/h2-5H,6-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 86298606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).