N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide

C22H25N5O2S — CID 167118551

IUPACN-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide
SMILESCCC1(C)CN(c2ccc3nccc(C(=O)NCC(=O)N4CSCC4C#N)c3c2)C1
InChIInChI=1S/C22H25N5O2S/c1-3-22(2)12-26(13-22)15-4-5-19-18(8-15)17(6-7-24-19)21(29)25-10-20(28)27-14-30-11-16(27)9-23/h4-8,16H,3,10-14H2,1-2H3,(H,25,29)
InChIKeyKVYKFPIRLGSOEV-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide

N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide (PubChem CID 167118551) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide
PubChem CID167118551
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide
SMILESCCC1(C)CN(c2ccc3nccc(C(=O)NCC(=O)N4CSCC4C#N)c3c2)C1
InChIInChI=1S/C22H25N5O2S/c1-3-22(2)12-26(13-22)15-4-5-19-18(8-15)17(6-7-24-19)21(29)25-10-20(28)27-14-30-11-16(27)9-23/h4-8,16H,3,10-14H2,1-2H3,(H,25,29)
InChIKeyKVYKFPIRLGSOEV-UHFFFAOYSA-N
XLogP2.63
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-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 N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide (CID 167118551) is N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide is CCC1(C)CN(c2ccc3nccc(C(=O)NCC(=O)N4CSCC4C#N)c3c2)C1.
What is the InChIKey of N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide?
The InChIKey is KVYKFPIRLGSOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-3-22(2)12-26(13-22)15-4-5-19-18(8-15)17(6-7-24-19)21(29)25-10-20(28)27-14-30-11-16(27)9-23/h4-8,16H,3,10-14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide?
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 167118551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).