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

C16H17N3O2 — CID 106102239

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESCC1OCCC1(O)CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H17N3O2/c1-11-16(20,6-7-21-11)10-18-15-13(9-17)8-12-4-2-3-5-14(12)19-15/h2-5,8,11,20H,6-7,10H2,1H3,(H,18,19)
InChIKeyLJBKIGPUYISVNM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.06
Rot. Bonds3

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

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile (PubChem CID 106102239) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
PubChem CID106102239
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESCC1OCCC1(O)CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H17N3O2/c1-11-16(20,6-7-21-11)10-18-15-13(9-17)8-12-4-2-3-5-14(12)19-15/h2-5,8,11,20H,6-7,10H2,1H3,(H,18,19)
InChIKeyLJBKIGPUYISVNM-UHFFFAOYSA-N
XLogP2.06
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 106099685
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]naphthalene-1-carbonitrile
CID 106102266
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 106102343
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
CID 107269555
2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
CID 113463859
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
2-methyl-3-(quinolin-2-ylmethyl)oxolan-3-ol
CID 82718660
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
3-bromo-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]benzonitrile
CID 114143673
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile (CID 106102239) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile is CC1OCCC1(O)CNc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The InChIKey is LJBKIGPUYISVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-16(20,6-7-21-11)10-18-15-13(9-17)8-12-4-2-3-5-14(12)19-15/h2-5,8,11,20H,6-7,10H2,1H3,(H,18,19).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 106102239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).