N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C24H19N3O3S — CID 134039425

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H19N3O3S/c28-22-11-8-15-13-18(9-10-19(15)26-22)30-14-23(29)25-17-5-3-4-16(12-17)24-27-20-6-1-2-7-21(20)31-24/h1-7,9-10,12-13H,8,11,14H2,(H,25,29)(H,26,28)
InChIKeyRUIZVTZVZAHDFW-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.87
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 134039425) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID134039425
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H19N3O3S/c28-22-11-8-15-13-18(9-10-19(15)26-22)30-14-23(29)25-17-5-3-4-16(12-17)24-27-20-6-1-2-7-21(20)31-24/h1-7,9-10,12-13H,8,11,14H2,(H,25,29)(H,26,28)
InChIKeyRUIZVTZVZAHDFW-UHFFFAOYSA-N
XLogP4.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide with MolForge

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Related Compounds

N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide
CID 92627494
N-dibenzofuran-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24652342
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33166774
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 5016157
N-[3-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46409447
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
CID 143409048
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78837215
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 32952776

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 134039425) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is RUIZVTZVZAHDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-22-11-8-15-13-18(9-10-19(15)26-22)30-14-23(29)25-17-5-3-4-16(12-17)24-27-20-6-1-2-7-21(20)31-24/h1-7,9-10,12-13H,8,11,14H2,(H,25,29)(H,26,28).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 429.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 134039425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).