N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen

C22H27N5O3S — CID 164532767

IUPACN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen
SMILESC[C@H]1COC[C@H](C)N1c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1.[H][H]
InChIInChI=1S/C22H25N5O3S.H2/c1-14-10-30-11-15(2)27(14)16-3-4-20-19(7-16)18(5-6-24-20)22(29)25-9-21(28)26-13-31-12-17(26)8-23;/h3-7,14-15,17H,9-13H2,1-2H3,(H,25,29);1H/t14-,15-,17+;/m0./s1
InChIKeyNQHANIWOLUSKQN-NOYXXFKXSA-N
MW441.56 g/mol
LogP2.25
Rot. Bonds4

About N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen (PubChem CID 164532767) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen
PubChem CID164532767
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen
SMILESC[C@H]1COC[C@H](C)N1c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1.[H][H]
InChIInChI=1S/C22H25N5O3S.H2/c1-14-10-30-11-15(2)27(14)16-3-4-20-19(7-16)18(5-6-24-20)22(29)25-9-21(28)26-13-31-12-17(26)8-23;/h3-7,14-15,17H,9-13H2,1-2H3,(H,25,29);1H/t14-,15-,17+;/m0./s1
InChIKeyNQHANIWOLUSKQN-NOYXXFKXSA-N
XLogP2.25
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen with MolForge

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Related Compounds

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-[(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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)quinoline-4-carboxamide
CID 164533168
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-[(2R,3S)-2,3-dimethylmorpholin-4-yl]quinoline-4-carboxamide
CID 164532534
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(4,4-dimethylpiperidin-1-yl)quinoline-4-carboxamide
CID 164532771
6-(5-azaspiro[2.3]hexan-5-yl)-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 167118519
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(2S)-4,4-difluoro-2-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 164533182
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(morpholin-4-ylmethyl)quinoline-4-carboxamide
CID 170633423
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-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-ethyl-3-methylazetidin-1-yl)quinoline-4-carboxamide
CID 167118551

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen?
The IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen (CID 164532767) is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen?
The canonical SMILES for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen is C[C@H]1COC[C@H](C)N1c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1.[H][H].
What is the InChIKey of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen?
The InChIKey is NQHANIWOLUSKQN-NOYXXFKXSA-N. The full InChI is InChI=1S/C22H25N5O3S.H2/c1-14-10-30-11-15(2)27(14)16-3-4-20-19(7-16)18(5-6-24-20)22(29)25-9-21(28)26-13-31-12-17(26)8-23;/h3-7,14-15,17H,9-13H2,1-2H3,(H,25,29);1H/t14-,15-,17+;/m0./s1.
What are the key properties of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen?
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen has a molecular weight of 441.56 g/mol, XLogP of 2.25, 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-[(3S,5S)-3,5-dimethylmorpholin-4-yl]quinoline-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 164532767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).