N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide

C18H17N3O2 — CID 9265057

IUPACN-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-14-8-6-13(7-9-14)10-11-19-18(22)17-12-20-15-4-2-3-5-16(15)21-17/h2-9,12H,10-11H2,1H3,(H,19,22)
InChIKeyVBVLKKDCNGYPFY-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.61
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide (PubChem CID 9265057) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide
PubChem CID9265057
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-14-8-6-13(7-9-14)10-11-19-18(22)17-12-20-15-4-2-3-5-16(15)21-17/h2-9,12H,10-11H2,1H3,(H,19,22)
InChIKeyVBVLKKDCNGYPFY-UHFFFAOYSA-N
XLogP2.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide (CID 9265057) is N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide is COc1ccc(CCNC(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is VBVLKKDCNGYPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-14-8-6-13(7-9-14)10-11-19-18(22)17-12-20-15-4-2-3-5-16(15)21-17/h2-9,12H,10-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 9265057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).