3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide

C19H20N4O2 — CID 50780012

IUPAC3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C19H20N4O2/c1-5-25-19-17(18(24)23-16-8-11(2)6-7-20-16)21-14-9-12(3)13(4)10-15(14)22-19/h6-10H,5H2,1-4H3,(H,20,23,24)
InChIKeyVKDHSCGSLCISCU-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.60
Rot. Bonds4

About 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide

3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide (PubChem CID 50780012) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide
PubChem CID50780012
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C19H20N4O2/c1-5-25-19-17(18(24)23-16-8-11(2)6-7-20-16)21-14-9-12(3)13(4)10-15(14)22-19/h6-10H,5H2,1-4H3,(H,20,23,24)
InChIKeyVKDHSCGSLCISCU-UHFFFAOYSA-N
XLogP3.60
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide (CID 50780012) is 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide is CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)ccn1.
What is the InChIKey of 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide?
The InChIKey is VKDHSCGSLCISCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-5-25-19-17(18(24)23-16-8-11(2)6-7-20-16)21-14-9-12(3)13(4)10-15(14)22-19/h6-10H,5H2,1-4H3,(H,20,23,24).
What are the key properties of 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide?
3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 50780012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).