N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

C26H19N5O5 — CID 51369510

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C26H19N5O5/c32-23(28-17-5-6-21-22(13-17)35-12-11-34-21)15-31-20-4-2-1-3-18(20)19(14-24(31)33)26-29-25(30-36-26)16-7-9-27-10-8-16/h1-10,13-14H,11-12,15H2,(H,28,32)
InChIKeyPBHWNJWUXADTAF-UHFFFAOYSA-N
MW481.47 g/mol
LogP3.52
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (PubChem CID 51369510) has the molecular formula C26H19N5O5 and a molecular weight of 481.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
PubChem CID51369510
Molecular FormulaC26H19N5O5
Molecular Weight481.47 g/mol
Exact Mass481.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C26H19N5O5/c32-23(28-17-5-6-21-22(13-17)35-12-11-34-21)15-31-20-4-2-1-3-18(20)19(14-24(31)33)26-29-25(30-36-26)16-7-9-27-10-8-16/h1-10,13-14H,11-12,15H2,(H,28,32)
InChIKeyPBHWNJWUXADTAF-UHFFFAOYSA-N
XLogP3.52
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369634
N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369359
N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369598
N-[(2-methoxyphenyl)methyl]-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369555
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46507732
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369732
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251216
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (CID 51369510) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The InChIKey is PBHWNJWUXADTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O5/c32-23(28-17-5-6-21-22(13-17)35-12-11-34-21)15-31-20-4-2-1-3-18(20)19(14-24(31)33)26-29-25(30-36-26)16-7-9-27-10-8-16/h1-10,13-14H,11-12,15H2,(H,28,32).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide has a molecular weight of 481.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is sourced from PubChem (CID 51369510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).