2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C19H25N3O2 — CID 72842994

IUPAC2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC3(CC1)OCCCC3O)CCCC2
InChIInChI=1S/C19H25N3O2/c20-13-15-12-14-4-1-2-5-16(14)21-18(15)22-9-7-19(8-10-22)17(23)6-3-11-24-19/h12,17,23H,1-11H2
InChIKeyCDIHPQUSWSIUQO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.34
Rot. Bonds1

About 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 72842994) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID72842994
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC3(CC1)OCCCC3O)CCCC2
InChIInChI=1S/C19H25N3O2/c20-13-15-12-14-4-1-2-5-16(14)21-18(15)22-9-7-19(8-10-22)17(23)6-3-11-24-19/h12,17,23H,1-11H2
InChIKeyCDIHPQUSWSIUQO-UHFFFAOYSA-N
XLogP2.34
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
2-(4,4-dimethylazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65280859
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 70727057
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 115559868
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079862
2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62232170
2-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 155495552
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 103878001
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79927493
2-[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 155497782

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 72842994) is 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1N1CCC3(CC1)OCCCC3O)CCCC2.
What is the InChIKey of 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is CDIHPQUSWSIUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c20-13-15-12-14-4-1-2-5-16(14)21-18(15)22-9-7-19(8-10-22)17(23)6-3-11-24-19/h12,17,23H,1-11H2.
What are the key properties of 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 72842994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).