N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C19H18N6O2 — CID 71153318

IUPACN-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4cncc(OC)c4)n3c2c1
InChIInChI=1S/C19H18N6O2/c1-4-21-19(26)12-5-6-15-16(8-12)25-17(11(2)22-15)23-24-18(25)13-7-14(27-3)10-20-9-13/h5-10H,4H2,1-3H3,(H,21,26)
InChIKeyUMJOYABDDYRKPH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153318) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153318
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4cncc(OC)c4)n3c2c1
InChIInChI=1S/C19H18N6O2/c1-4-21-19(26)12-5-6-15-16(8-12)25-17(11(2)22-15)23-24-18(25)13-7-14(27-3)10-20-9-13/h5-10H,4H2,1-3H3,(H,21,26)
InChIKeyUMJOYABDDYRKPH-UHFFFAOYSA-N
XLogP2.41
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153318) is N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCNC(=O)c1ccc2nc(C)c3nnc(-c4cncc(OC)c4)n3c2c1.
What is the InChIKey of N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is UMJOYABDDYRKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-4-21-19(26)12-5-6-15-16(8-12)25-17(11(2)22-15)23-24-18(25)13-7-14(27-3)10-20-9-13/h5-10H,4H2,1-3H3,(H,21,26).
What are the key properties of N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).