N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide

C18H14N4O2S — CID 155966768

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)NCc1ccc2nsnc2c1
InChIInChI=1S/C18H14N4O2S/c23-17(19-10-11-5-6-15-16(7-11)22-25-21-15)9-13-8-12-3-1-2-4-14(12)20-18(13)24/h1-8H,9-10H2,(H,19,23)(H,20,24)
InChIKeyJQARJRJELFGLEW-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.39
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 155966768) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID155966768
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)NCc1ccc2nsnc2c1
InChIInChI=1S/C18H14N4O2S/c23-17(19-10-11-5-6-15-16(7-11)22-25-21-15)9-13-8-12-3-1-2-4-14(12)20-18(13)24/h1-8H,9-10H2,(H,19,23)(H,20,24)
InChIKeyJQARJRJELFGLEW-UHFFFAOYSA-N
XLogP2.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
CID 60515860
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 86860574
N-[(2-oxo-1H-quinolin-3-yl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619588
2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
CID 155950289
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 166307323
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide
CID 131936663

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide (CID 155966768) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide is O=C(Cc1cc2ccccc2[nH]c1=O)NCc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is JQARJRJELFGLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-17(19-10-11-5-6-15-16(7-11)22-25-21-15)9-13-8-12-3-1-2-4-14(12)20-18(13)24/h1-8H,9-10H2,(H,19,23)(H,20,24).
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 155966768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).