N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C21H18ClN3O2S — CID 24627169

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H18ClN3O2S/c22-16-8-5-13(6-9-16)18-12-28-21(24-18)25-19(26)10-7-15-11-14-3-1-2-4-17(14)23-20(15)27/h1-6,8-9,12,15H,7,10-11H2,(H,23,27)(H,24,25,26)
InChIKeyKTVGJKPJGVESGB-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.99
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 24627169) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID24627169
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H18ClN3O2S/c22-16-8-5-13(6-9-16)18-12-28-21(24-18)25-19(26)10-7-15-11-14-3-1-2-4-17(14)23-20(15)27/h1-6,8-9,12,15H,7,10-11H2,(H,23,27)(H,24,25,26)
InChIKeyKTVGJKPJGVESGB-UHFFFAOYSA-N
XLogP4.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide 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-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24627379
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30045813
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24627029
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18143803
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262558
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30202410
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615595
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356808
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 18886850
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 39948274

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 24627169) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is KTVGJKPJGVESGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c22-16-8-5-13(6-9-16)18-12-28-21(24-18)25-19(26)10-7-15-11-14-3-1-2-4-17(14)23-20(15)27/h1-6,8-9,12,15H,7,10-11H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 411.91 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 24627169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).