N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C16H16ClN3O2S — CID 51092263

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NCCc3ccc(Cl)s3)ccc21
InChIInChI=1S/C16H16ClN3O2S/c1-20-9-15(21)19-12-8-10(2-4-13(12)20)16(22)18-7-6-11-3-5-14(17)23-11/h2-5,8H,6-7,9H2,1H3,(H,18,22)(H,19,21)
InChIKeyXVMUZOWLBHTBNV-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 51092263) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID51092263
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NCCc3ccc(Cl)s3)ccc21
InChIInChI=1S/C16H16ClN3O2S/c1-20-9-15(21)19-12-8-10(2-4-13(12)20)16(22)18-7-6-11-3-5-14(17)23-11/h2-5,8H,6-7,9H2,1H3,(H,18,22)(H,19,21)
InChIKeyXVMUZOWLBHTBNV-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 20968106
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 136511531
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 154858863
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
N-(3-aminopropyl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119407918
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 51126889
1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 55865350
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 55865593

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 51092263) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CN1CC(=O)Nc2cc(C(=O)NCCc3ccc(Cl)s3)ccc21.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is XVMUZOWLBHTBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-20-9-15(21)19-12-8-10(2-4-13(12)20)16(22)18-7-6-11-3-5-14(17)23-11/h2-5,8H,6-7,9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 51092263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).