7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide

C20H20ClN5O3S — CID 167118380

IUPAC7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
SMILESN#CC1CSCN1C(=O)CNC(=O)c1ccnc2cc(Cl)c(N3CCOCC3)cc12
InChIInChI=1S/C20H20ClN5O3S/c21-16-8-17-15(7-18(16)25-3-5-29-6-4-25)14(1-2-23-17)20(28)24-10-19(27)26-12-30-11-13(26)9-22/h1-2,7-8,13H,3-6,10-12H2,(H,24,28)
InChIKeySOVGHANOYJMEML-UHFFFAOYSA-N
MW445.93 g/mol
LogP1.88
Rot. Bonds4

About 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide

7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 167118380) has the molecular formula C20H20ClN5O3S and a molecular weight of 445.93 g/mol. Its IUPAC name is 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
PubChem CID167118380
Molecular FormulaC20H20ClN5O3S
Molecular Weight445.93 g/mol
Exact Mass445.10
IUPAC Name7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
SMILESN#CC1CSCN1C(=O)CNC(=O)c1ccnc2cc(Cl)c(N3CCOCC3)cc12
InChIInChI=1S/C20H20ClN5O3S/c21-16-8-17-15(7-18(16)25-3-5-29-6-4-25)14(1-2-23-17)20(28)24-10-19(27)26-12-30-11-13(26)9-22/h1-2,7-8,13H,3-6,10-12H2,(H,24,28)
InChIKeySOVGHANOYJMEML-UHFFFAOYSA-N
XLogP1.88
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide with MolForge

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Related Compounds

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-(morpholin-4-ylmethyl)quinoline-4-carboxamide
CID 170633423
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-(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-(4-hydroxyoxan-4-yl)quinoline-4-carboxamide
CID 175960402
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-(3,6-dihydro-2H-pyran-4-yl)quinoline-4-carboxamide
CID 170633372
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]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide
CID 164532977
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-(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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide (CID 167118380) is 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide is N#CC1CSCN1C(=O)CNC(=O)c1ccnc2cc(Cl)c(N3CCOCC3)cc12.
What is the InChIKey of 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide?
The InChIKey is SOVGHANOYJMEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3S/c21-16-8-17-15(7-18(16)25-3-5-29-6-4-25)14(1-2-23-17)20(28)24-10-19(27)26-12-30-11-13(26)9-22/h1-2,7-8,13H,3-6,10-12H2,(H,24,28).
What are the key properties of 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide?
7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 167118380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).