4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide

C26H22ClN3OS — CID 22340496

IUPAC4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCSC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22ClN3OS/c27-22-8-5-19(6-9-22)18-1-3-20(4-2-18)26(31)29-23-11-12-25-21(15-23)7-10-24(28-25)16-30-13-14-32-17-30/h1-12,15H,13-14,16-17H2,(H,29,31)
InChIKeyPKPFAQVIGSNQCH-UHFFFAOYSA-N
MW460.00 g/mol
LogP6.31
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide

4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide (PubChem CID 22340496) has the molecular formula C26H22ClN3OS and a molecular weight of 460.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide
PubChem CID22340496
Molecular FormulaC26H22ClN3OS
Molecular Weight460.00 g/mol
Exact Mass459.12
IUPAC Name4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCSC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22ClN3OS/c27-22-8-5-19(6-9-22)18-1-3-20(4-2-18)26(31)29-23-11-12-25-21(15-23)7-10-24(28-25)16-30-13-14-32-17-30/h1-12,15H,13-14,16-17H2,(H,29,31)
InChIKeyPKPFAQVIGSNQCH-UHFFFAOYSA-N
XLogP6.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.00
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide
CID 22340315
4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340272
4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
CID 20823335
4-(4-chlorophenyl)-N-[2-[(dimethylamino)methyl]quinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 44527622
4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
CID 22340484
2-(azetidin-1-ylmethyl)-N-[5-(2,3-dihydro-1-benzofuran-6-carbonylamino)-2-fluorophenyl]quinoline-6-carboxamide
CID 122589594
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358138
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-2-[[4-(1,1,2,2,2-pentahydroxyethyl)piperazin-1-yl]methyl]quinoline-6-carboxamide
CID 134413562
N-[2-chloro-5-(2,3-dihydro-1-benzofuran-6-carbonylamino)phenyl]-2-[(4-ethylpiperazin-1-yl)methyl]quinoline-6-carboxamide
CID 122589573
2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
CID 55731814

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide (CID 22340496) is 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide is O=C(Nc1ccc2nc(CN3CCSC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide?
The InChIKey is PKPFAQVIGSNQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3OS/c27-22-8-5-19(6-9-22)18-1-3-20(4-2-18)26(31)29-23-11-12-25-21(15-23)7-10-24(28-25)16-30-13-14-32-17-30/h1-12,15H,13-14,16-17H2,(H,29,31).
What are the key properties of 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide?
4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide has a molecular weight of 460.00 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide is sourced from PubChem (CID 22340496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).