N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide

C22H23N5O4S — CID 164532546

IUPACN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide
SMILESCC1(C)OCCN(c2ccc3nccc(C(=O)NCC(=O)N4CSC[C@H]4C#N)c3c2)C1=O
InChIInChI=1S/C22H23N5O4S/c1-22(2)21(30)26(7-8-31-22)14-3-4-18-17(9-14)16(5-6-24-18)20(29)25-11-19(28)27-13-32-12-15(27)10-23/h3-6,9,15H,7-8,11-13H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyTZHCJPAKZQLISB-OAHLLOKOSA-N
MW453.52 g/mol
LogP1.53
Rot. Bonds4

About N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide (PubChem CID 164532546) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide
PubChem CID164532546
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide
SMILESCC1(C)OCCN(c2ccc3nccc(C(=O)NCC(=O)N4CSC[C@H]4C#N)c3c2)C1=O
InChIInChI=1S/C22H23N5O4S/c1-22(2)21(30)26(7-8-31-22)14-3-4-18-17(9-14)16(5-6-24-18)20(29)25-11-19(28)27-13-32-12-15(27)10-23/h3-6,9,15H,7-8,11-13H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyTZHCJPAKZQLISB-OAHLLOKOSA-N
XLogP1.53
TPSA115.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(4,4-dimethylpiperidin-1-yl)quinoline-4-carboxamide
CID 164532771
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
CID 164532637
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)quinoline-4-carboxamide
CID 164533107
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]quinoline-4-carboxamide
CID 164533044
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)quinoline-4-carboxamide
CID 164533119
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide
CID 167118551
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)quinoline-4-carboxamide
CID 164533168
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S)-3-methyl-1,4-oxazepan-4-yl]quinoline-4-carboxamide
CID 164532851
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-methyl-1,4-oxazepan-4-yl)quinoline-4-carboxamide
CID 175477075
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoline-4-carboxamide
CID 167118353
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide
CID 164533090
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 164532876

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide (CID 164532546) is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide is CC1(C)OCCN(c2ccc3nccc(C(=O)NCC(=O)N4CSC[C@H]4C#N)c3c2)C1=O.
What is the InChIKey of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide?
The InChIKey is TZHCJPAKZQLISB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-22(2)21(30)26(7-8-31-22)14-3-4-18-17(9-14)16(5-6-24-18)20(29)25-11-19(28)27-13-32-12-15(27)10-23/h3-6,9,15H,7-8,11-13H2,1-2H3,(H,25,29)/t15-/m1/s1.
What are the key properties of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide?
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 164532546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).