N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide

C19H21N3O3S — CID 46301467

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCOc1cccc2c(C)cc(=O)n(C(C)C(=O)Nc3nc(C)c(C)s3)c12
InChIInChI=1S/C19H21N3O3S/c1-10-9-16(23)22(17-14(10)7-6-8-15(17)25-5)12(3)18(24)21-19-20-11(2)13(4)26-19/h6-9,12H,1-5H3,(H,20,21,24)
InChIKeyFELYYBMTHWYSCI-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.59
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 46301467) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID46301467
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCOc1cccc2c(C)cc(=O)n(C(C)C(=O)Nc3nc(C)c(C)s3)c12
InChIInChI=1S/C19H21N3O3S/c1-10-9-16(23)22(17-14(10)7-6-8-15(17)25-5)12(3)18(24)21-19-20-11(2)13(4)26-19/h6-9,12H,1-5H3,(H,20,21,24)
InChIKeyFELYYBMTHWYSCI-UHFFFAOYSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46301468
8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one
CID 46302487
N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46301475
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46301154
ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 46301610
8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one
CID 42345035
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
CID 28824897
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301175
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]thiophene-3-carboxylate
CID 46301587
N-(3,4-dimethylphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301501
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39765147

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide (CID 46301467) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide is COc1cccc2c(C)cc(=O)n(C(C)C(=O)Nc3nc(C)c(C)s3)c12.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is FELYYBMTHWYSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-10-9-16(23)22(17-14(10)7-6-8-15(17)25-5)12(3)18(24)21-19-20-11(2)13(4)26-19/h6-9,12H,1-5H3,(H,20,21,24).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 46301467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).