5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide

C21H26N4O2S — CID 5307923

IUPAC5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1
InChIInChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)9-5-8-22-20(26)18-14-16-19(28-18)15-6-3-4-7-17(15)24(2)21(16)27/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,22,26)
InChIKeyMWHCTKCXRCXLMX-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.12
Rot. Bonds5

About 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide

5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 5307923) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID5307923
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1
InChIInChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)9-5-8-22-20(26)18-14-16-19(28-18)15-6-3-4-7-17(15)24(2)21(16)27/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,22,26)
InChIKeyMWHCTKCXRCXLMX-UHFFFAOYSA-N
XLogP2.12
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 5307923) is 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide is CN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1.
What is the InChIKey of 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is MWHCTKCXRCXLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)9-5-8-22-20(26)18-14-16-19(28-18)15-6-3-4-7-17(15)24(2)21(16)27/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,22,26).
What are the key properties of 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide?
5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5307923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).