N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide

C12H13N3O2 — CID 14086928

IUPACN-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)NCCO
InChIInChI=1S/C12H13N3O2/c1-8-11(12(17)13-6-7-16)15-10-5-3-2-4-9(10)14-8/h2-5,16H,6-7H2,1H3,(H,13,17)
InChIKeySHASLYNHHQFSRC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.66
Rot. Bonds3

About N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide

N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide (PubChem CID 14086928) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide
PubChem CID14086928
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)NCCO
InChIInChI=1S/C12H13N3O2/c1-8-11(12(17)13-6-7-16)15-10-5-3-2-4-9(10)14-8/h2-5,16H,6-7H2,1H3,(H,13,17)
InChIKeySHASLYNHHQFSRC-UHFFFAOYSA-N
XLogP0.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide (CID 14086928) is N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide is Cc1nc2ccccc2nc1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide?
The InChIKey is SHASLYNHHQFSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(12(17)13-6-7-16)15-10-5-3-2-4-9(10)14-8/h2-5,16H,6-7H2,1H3,(H,13,17).
What are the key properties of N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide?
N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 14086928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).