N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide

C18H19FN4OS — CID 100716129

IUPACN-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2sccc2C#N)c2cc(F)ccc21
InChIInChI=1S/C18H19FN4OS/c1-2-6-22-7-8-23(16-10-14(19)3-4-15(16)22)12-17(24)21-18-13(11-20)5-9-25-18/h3-5,9-10H,2,6-8,12H2,1H3,(H,21,24)
InChIKeyNTJXIYJLBMRPPW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.43
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide

N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide (PubChem CID 100716129) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide
PubChem CID100716129
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2sccc2C#N)c2cc(F)ccc21
InChIInChI=1S/C18H19FN4OS/c1-2-6-22-7-8-23(16-10-14(19)3-4-15(16)22)12-17(24)21-18-13(11-20)5-9-25-18/h3-5,9-10H,2,6-8,12H2,1H3,(H,21,24)
InChIKeyNTJXIYJLBMRPPW-UHFFFAOYSA-N
XLogP3.43
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
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CID 43162397
N-(3-cyanothiophen-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194992
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441838
N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 34009516
N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
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N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
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N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 2473904
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide (CID 100716129) is N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide is CCCN1CCN(CC(=O)Nc2sccc2C#N)c2cc(F)ccc21.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide?
The InChIKey is NTJXIYJLBMRPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-2-6-22-7-8-23(16-10-14(19)3-4-15(16)22)12-17(24)21-18-13(11-20)5-9-25-18/h3-5,9-10H,2,6-8,12H2,1H3,(H,21,24).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide is sourced from PubChem (CID 100716129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).