3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide

C25H23Cl2N5O4S2 — CID 57051975

IUPAC3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)CN4CSCC4C(N)=O)c3Cl)c2n1
InChIInChI=1S/C25H23Cl2N5O4S2/c1-15-9-19(31-8-7-29-12-31)16-3-2-4-21(24(16)30-15)36-10-17-18(26)5-6-22(23(17)27)38(34,35)14-32-13-37-11-20(32)25(28)33/h2-9,12,20H,10-11,13-14H2,1H3,(H2,28,33)
InChIKeyJXXPWVQPGNIJBT-UHFFFAOYSA-N
MW592.53 g/mol
LogP4.21
Rot. Bonds8

About 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide

3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 57051975) has the molecular formula C25H23Cl2N5O4S2 and a molecular weight of 592.53 g/mol. Its IUPAC name is 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID57051975
Molecular FormulaC25H23Cl2N5O4S2
Molecular Weight592.53 g/mol
Exact Mass591.06
IUPAC Name3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)CN4CSCC4C(N)=O)c3Cl)c2n1
InChIInChI=1S/C25H23Cl2N5O4S2/c1-15-9-19(31-8-7-29-12-31)16-3-2-4-21(24(16)30-15)36-10-17-18(26)5-6-22(23(17)27)38(34,35)14-32-13-37-11-20(32)25(28)33/h2-9,12,20H,10-11,13-14H2,1H3,(H2,28,33)
InChIKeyJXXPWVQPGNIJBT-UHFFFAOYSA-N
XLogP4.21
TPSA120.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-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

Related Compounds

(2R)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 57002860
N-cyclopropyl-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
CID 18404311
1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methyl-4-propoxypyrrolidine-2-carboxamide
CID 18404243
2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
CID 59484278
2-[(2S,4S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-4-methoxypyrrolidin-2-yl]-N-methylacetamide
CID 139932184
(2S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 22897275
N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
CID 56977731
2-[4-[[[(2S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]methyl]piperidin-1-yl]acetic acid
CID 22897322
1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 18404347
2-acetamido-N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 18704953
(2S)-1-[2,4-dichloro-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 138393388
8-[(2,4-dimethyl-3-pyridinyl)methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59483960

Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide (CID 57051975) is 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)CN4CSCC4C(N)=O)c3Cl)c2n1.
What is the InChIKey of 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JXXPWVQPGNIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O4S2/c1-15-9-19(31-8-7-29-12-31)16-3-2-4-21(24(16)30-15)36-10-17-18(26)5-6-22(23(17)27)38(34,35)14-32-13-37-11-20(32)25(28)33/h2-9,12,20H,10-11,13-14H2,1H3,(H2,28,33).
What are the key properties of 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide?
3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 592.53 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 57051975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).