4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol

C14H16ClN3O2 — CID 172900555

IUPAC4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2cnc3cc(Cl)ccc3n2)CCOCC1
InChIInChI=1S/C14H16ClN3O2/c15-10-1-2-11-12(7-10)16-8-13(18-11)17-9-14(19)3-5-20-6-4-14/h1-2,7-8,19H,3-6,9H2,(H,17,18)
InChIKeyQHGZEUVMOGTJNA-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.24
Rot. Bonds3

About 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol

4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol (PubChem CID 172900555) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol
PubChem CID172900555
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2cnc3cc(Cl)ccc3n2)CCOCC1
InChIInChI=1S/C14H16ClN3O2/c15-10-1-2-11-12(7-10)16-8-13(18-11)17-9-14(19)3-5-20-6-4-14/h1-2,7-8,19H,3-6,9H2,(H,17,18)
InChIKeyQHGZEUVMOGTJNA-UHFFFAOYSA-N
XLogP2.24
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118662
N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine
CID 71996040
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118314
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81132046
4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 114562791
6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine
CID 123386788
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 133299493
4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132043
3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol
CID 103847712
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol (CID 172900555) is 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol is OC1(CNc2cnc3cc(Cl)ccc3n2)CCOCC1.
What is the InChIKey of 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol?
The InChIKey is QHGZEUVMOGTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-10-1-2-11-12(7-10)16-8-13(18-11)17-9-14(19)3-5-20-6-4-14/h1-2,7-8,19H,3-6,9H2,(H,17,18).
What are the key properties of 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol?
4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol has a molecular weight of 293.75 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 172900555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).