2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C13H15N3O2 — CID 112737106

IUPAC2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(O)CO1)CCCC2
InChIInChI=1S/C13H15N3O2/c14-6-10-5-9-3-1-2-4-12(9)15-13(10)16-7-11(17)8-18-16/h5,11,17H,1-4,7-8H2
InChIKeyHRYISVXVQVGBLV-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.94
Rot. Bonds1

About 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 112737106) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID112737106
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(O)CO1)CCCC2
InChIInChI=1S/C13H15N3O2/c14-6-10-5-9-3-1-2-4-12(9)15-13(10)16-7-11(17)8-18-16/h5,11,17H,1-4,7-8H2
InChIKeyHRYISVXVQVGBLV-UHFFFAOYSA-N
XLogP0.94
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 112737106) is 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CC(O)CO1)CCCC2.
What is the InChIKey of 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is HRYISVXVQVGBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-6-10-5-9-3-1-2-4-12(9)15-13(10)16-7-11(17)8-18-16/h5,11,17H,1-4,7-8H2.
What are the key properties of 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,2-oxazolidin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 112737106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).