(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine

C16H16N4O — CID 107357366

IUPAC(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
SMILESCCOc1cncc(C(N)c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H16N4O/c1-2-21-12-7-11(8-18-9-12)16(17)15-10-19-13-5-3-4-6-14(13)20-15/h3-10,16H,2,17H2,1H3
InChIKeyOQJBTMOSYGPXAC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds4

About (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine

(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine (PubChem CID 107357366) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
PubChem CID107357366
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
SMILESCCOc1cncc(C(N)c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H16N4O/c1-2-21-12-7-11(8-18-9-12)16(17)15-10-19-13-5-3-4-6-14(13)20-15/h3-10,16H,2,17H2,1H3
InChIKeyOQJBTMOSYGPXAC-UHFFFAOYSA-N
XLogP2.47
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105175526
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
(2-bromo-3,4-difluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107538741
(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
CID 107356865
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105175597

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine?
The IUPAC name of (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine (CID 107357366) is (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine is CCOc1cncc(C(N)c2cnc3ccccc3n2)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine?
The InChIKey is OQJBTMOSYGPXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-21-12-7-11(8-18-9-12)16(17)15-10-19-13-5-3-4-6-14(13)20-15/h3-10,16H,2,17H2,1H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine?
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107357366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).