4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile

C15H16N4O2 — CID 107269555

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
SMILESCC1OCCC1(O)CNc1c(C#N)nnc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-10-15(20,6-7-21-10)9-17-14-11-4-2-3-5-12(11)18-19-13(14)8-16/h2-5,10,20H,6-7,9H2,1H3,(H,17,18)
InChIKeyXVWORGCTTNVESP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.45
Rot. Bonds3

About 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile (PubChem CID 107269555) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
PubChem CID107269555
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
SMILESCC1OCCC1(O)CNc1c(C#N)nnc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-10-15(20,6-7-21-10)9-17-14-11-4-2-3-5-12(11)18-19-13(14)8-16/h2-5,10,20H,6-7,9H2,1H3,(H,17,18)
InChIKeyXVWORGCTTNVESP-UHFFFAOYSA-N
XLogP1.45
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099717
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
CID 115360612
4-[(1-propylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 103761703
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]naphthalene-1-carbonitrile
CID 106102266
4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 103741750
4-[(1-methylsulfanylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 107268715
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 106102239
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
CID 103269781
4-(2-ethoxyethylamino)cinnoline-3-carbonitrile
CID 64900269
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile (CID 107269555) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile is CC1OCCC1(O)CNc1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile?
The InChIKey is XVWORGCTTNVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-15(20,6-7-21-10)9-17-14-11-4-2-3-5-12(11)18-19-13(14)8-16/h2-5,10,20H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile?
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile is sourced from PubChem (CID 107269555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).