5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide

C23H30N4O2S — CID 20857519

IUPAC5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1
InChIInChI=1S/C23H30N4O2S/c1-3-10-26-12-14-27(15-13-26)11-6-9-24-22(28)20-16-18-21(30-20)17-7-4-5-8-19(17)25(2)23(18)29/h4-5,7-8,16H,3,6,9-15H2,1-2H3,(H,24,28)
InChIKeyUWCWMHBEJMLFML-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.90
Rot. Bonds7

About 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide

5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20857519) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
PubChem CID20857519
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1
InChIInChI=1S/C23H30N4O2S/c1-3-10-26-12-14-27(15-13-26)11-6-9-24-22(28)20-16-18-21(30-20)17-7-4-5-8-19(17)25(2)23(18)29/h4-5,7-8,16H,3,6,9-15H2,1-2H3,(H,24,28)
InChIKeyUWCWMHBEJMLFML-UHFFFAOYSA-N
XLogP2.90
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide (CID 20857519) is 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide is CCCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1.
What is the InChIKey of 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is UWCWMHBEJMLFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-3-10-26-12-14-27(15-13-26)11-6-9-24-22(28)20-16-18-21(30-20)17-7-4-5-8-19(17)25(2)23(18)29/h4-5,7-8,16H,3,6,9-15H2,1-2H3,(H,24,28).
What are the key properties of 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide?
5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 426.59 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20857519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).