N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C27H24ClFN4O2S — CID 26351267

IUPACN-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C1CCCN1CCCN(Cc1cc2ccc(F)cc2nc1-c1cccc(Cl)c1)C(=O)c1cncs1
InChIInChI=1S/C27H24ClFN4O2S/c28-21-5-1-4-19(13-21)26-20(12-18-7-8-22(29)14-23(18)31-26)16-33(27(35)24-15-30-17-36-24)11-3-10-32-9-2-6-25(32)34/h1,4-5,7-8,12-15,17H,2-3,6,9-11,16H2
InChIKeyJEUYHVAPIQMPOA-UHFFFAOYSA-N
MW523.03 g/mol
LogP5.81
Rot. Bonds8

About N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 26351267) has the molecular formula C27H24ClFN4O2S and a molecular weight of 523.03 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID26351267
Molecular FormulaC27H24ClFN4O2S
Molecular Weight523.03 g/mol
Exact Mass522.13
IUPAC NameN-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C1CCCN1CCCN(Cc1cc2ccc(F)cc2nc1-c1cccc(Cl)c1)C(=O)c1cncs1
InChIInChI=1S/C27H24ClFN4O2S/c28-21-5-1-4-19(13-21)26-20(12-18-7-8-22(29)14-23(18)31-26)16-33(27(35)24-15-30-17-36-24)11-3-10-32-9-2-6-25(32)34/h1,4-5,7-8,12-15,17H,2-3,6,9-11,16H2
InChIKeyJEUYHVAPIQMPOA-UHFFFAOYSA-N
XLogP5.81
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.03
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-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

N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxidoisoquinolin-2-ium-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25050394
N-(3-chlorophenyl)-N-[(7,8-difluoroisoquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25050395
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxidoisoquinolin-2-ium-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25050549
N-(3-chlorophenyl)-N-[(8-fluoroisoquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25050550
N-(4-chlorophenyl)-4-[2-(quinolin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644831
[2-[6-(3-Chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 56660085
[2-[6-(3-Chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 56673924
[2-[6-(3-Chloro-5-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 56677266
[2-[6-(3-Chlorophenyl)-4-methyl-3-pyridinyl]-4-fluoropyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 56680565
N-(3-chlorophenyl)-N-[(8-fluoroquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42618061
N-(3-chlorophenyl)-N-[(1-cyano-8-fluoroisoquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25050551
N-[(1-chloro-8-fluoroisoquinolin-4-yl)methyl]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87693858

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 26351267) is N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is O=C1CCCN1CCCN(Cc1cc2ccc(F)cc2nc1-c1cccc(Cl)c1)C(=O)c1cncs1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JEUYHVAPIQMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2S/c28-21-5-1-4-19(13-21)26-20(12-18-7-8-22(29)14-23(18)31-26)16-33(27(35)24-15-30-17-36-24)11-3-10-32-9-2-6-25(32)34/h1,4-5,7-8,12-15,17H,2-3,6,9-11,16H2.
What are the key properties of N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 523.03 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-7-fluoroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 26351267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).