N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide

C17H14ClN3O — CID 2814879

IUPACN-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H14ClN3O/c18-14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)
InChIKeyNLGINEQQBAUEQS-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide

N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide (PubChem CID 2814879) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide
PubChem CID2814879
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H14ClN3O/c18-14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)
InChIKeyNLGINEQQBAUEQS-UHFFFAOYSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide (CID 2814879) is N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2nccnc2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is NLGINEQQBAUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide?
N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 2814879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).