N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine

C19H20N4O2 — CID 91787366

IUPACN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine
SMILESc1ccc(CO[C@@H]2COCC[C@H]2Nc2cnc3ccccc3n2)nc1
InChIInChI=1S/C19H20N4O2/c1-2-7-16-15(6-1)21-11-19(22-16)23-17-8-10-24-13-18(17)25-12-14-5-3-4-9-20-14/h1-7,9,11,17-18H,8,10,12-13H2,(H,22,23)/t17-,18-/m1/s1
InChIKeyKNCWXZHQBTUBQZ-QZTJIDSGSA-N
MW336.39 g/mol
LogP2.81
Rot. Bonds5

About N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine

N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine (PubChem CID 91787366) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine
PubChem CID91787366
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine
SMILESc1ccc(CO[C@@H]2COCC[C@H]2Nc2cnc3ccccc3n2)nc1
InChIInChI=1S/C19H20N4O2/c1-2-7-16-15(6-1)21-11-19(22-16)23-17-8-10-24-13-18(17)25-12-14-5-3-4-9-20-14/h1-7,9,11,17-18H,8,10,12-13H2,(H,22,23)/t17-,18-/m1/s1
InChIKeyKNCWXZHQBTUBQZ-QZTJIDSGSA-N
XLogP2.81
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine
CID 91760488
6-[(dimethylamino)methyl]-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine
CID 91796579
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine
CID 91771429
N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine
CID 133266496
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
CID 91789371
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2H-benzotriazole-5-carboxamide
CID 91772579
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
CID 91764518

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine?
The IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine (CID 91787366) is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine.
What is the SMILES notation for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine?
The canonical SMILES for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine is c1ccc(CO[C@@H]2COCC[C@H]2Nc2cnc3ccccc3n2)nc1.
What is the InChIKey of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine?
The InChIKey is KNCWXZHQBTUBQZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-7-16-15(6-1)21-11-19(22-16)23-17-8-10-24-13-18(17)25-12-14-5-3-4-9-20-14/h1-7,9,11,17-18H,8,10,12-13H2,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine?
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine has a molecular weight of 336.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine is sourced from PubChem (CID 91787366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).