1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C25H22N4O2S — CID 55670365

IUPAC1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3C(=O)Nc3nccs3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O2S/c1-16-8-10-17(11-9-16)21-15-19(18-5-2-3-6-20(18)27-21)24(31)29-13-4-7-22(29)23(30)28-25-26-12-14-32-25/h2-3,5-6,8-12,14-15,22H,4,7,13H2,1H3,(H,26,28,30)
InChIKeySKHMZBBGRPDAIA-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.91
Rot. Bonds4

About 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 55670365) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID55670365
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3C(=O)Nc3nccs3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O2S/c1-16-8-10-17(11-9-16)21-15-19(18-5-2-3-6-20(18)27-21)24(31)29-13-4-7-22(29)23(30)28-25-26-12-14-32-25/h2-3,5-6,8-12,14-15,22H,4,7,13H2,1H3,(H,26,28,30)
InChIKeySKHMZBBGRPDAIA-UHFFFAOYSA-N
XLogP4.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524713
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-[2-[4-(4-methylphenoxy)phenoxy]acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670197
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
(2S)-1-(1H-indole-4-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 96569369
(2S)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935113
(2R)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935112
1-(2-bromo-5-chlorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78865044
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 55670365) is 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCCC3C(=O)Nc3nccs3)c3ccccc3n2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is SKHMZBBGRPDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-16-8-10-17(11-9-16)21-15-19(18-5-2-3-6-20(18)27-21)24(31)29-13-4-7-22(29)23(30)28-25-26-12-14-32-25/h2-3,5-6,8-12,14-15,22H,4,7,13H2,1H3,(H,26,28,30).
What are the key properties of 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55670365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).