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

C22H19N3O2S — CID 110608858

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)cs1)NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H19N3O2S/c26-20(10-11-21-24-19(14-28-21)15-6-2-1-3-7-15)23-13-17-12-16-8-4-5-9-18(16)25-22(17)27/h1-9,12,14H,10-11,13H2,(H,23,26)(H,25,27)
InChIKeyQQPBCGURPMYMQW-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.90
Rot. Bonds6

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

N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110608858) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID110608858
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)cs1)NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H19N3O2S/c26-20(10-11-21-24-19(14-28-21)15-6-2-1-3-7-15)23-13-17-12-16-8-4-5-9-18(16)25-22(17)27/h1-9,12,14H,10-11,13H2,(H,23,26)(H,25,27)
InChIKeyQQPBCGURPMYMQW-UHFFFAOYSA-N
XLogP3.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-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

3-(furan-2-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413242
N-[(2-oxo-1H-quinolin-3-yl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619588
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbenzamide
CID 110324311
5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide
CID 110616660
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 110409063
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110662606
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 110608858) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)cs1)NCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QQPBCGURPMYMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20(10-11-21-24-19(14-28-21)15-6-2-1-3-7-15)23-13-17-12-16-8-4-5-9-18(16)25-22(17)27/h1-9,12,14H,10-11,13H2,(H,23,26)(H,25,27).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110608858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).