1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol

C16H19N3O — CID 81210048

IUPAC1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol
SMILESOC(c1ccc2cccnc2c1)C1CN2CCN1CC2
InChIInChI=1S/C16H19N3O/c20-16(15-11-18-6-8-19(15)9-7-18)13-4-3-12-2-1-5-17-14(12)10-13/h1-5,10,15-16,20H,6-9,11H2
InChIKeyWZYXRGNKIXNSCT-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.27
Rot. Bonds2

About 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol

1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol (PubChem CID 81210048) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol
PubChem CID81210048
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol
SMILESOC(c1ccc2cccnc2c1)C1CN2CCN1CC2
InChIInChI=1S/C16H19N3O/c20-16(15-11-18-6-8-19(15)9-7-18)13-4-3-12-2-1-5-17-14(12)10-13/h1-5,10,15-16,20H,6-9,11H2
InChIKeyWZYXRGNKIXNSCT-UHFFFAOYSA-N
XLogP1.27
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol with MolForge

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Related Compounds

cycloheptyl(quinolin-7-yl)methanol
CID 81216722
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol
CID 115997893
(3-methylcyclopentyl)-quinolin-7-ylmethanol
CID 81220222
oxolan-3-yl(quinolin-7-yl)methanol
CID 81215665
oxan-3-yl(quinolin-7-yl)methanol
CID 81216710
3-amino-1-quinolin-7-ylpropan-1-ol
CID 84670752
1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
CID 114727004
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
CID 114519106
(1S)-1-quinolin-7-ylnonan-1-ol
CID 15658090
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
CID 115827163
furan-2-yl(quinolin-7-yl)methanol
CID 81216478

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol (CID 81210048) is 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol is OC(c1ccc2cccnc2c1)C1CN2CCN1CC2.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol?
The InChIKey is WZYXRGNKIXNSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(15-11-18-6-8-19(15)9-7-18)13-4-3-12-2-1-5-17-14(12)10-13/h1-5,10,15-16,20H,6-9,11H2.
What are the key properties of 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol?
1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol has a molecular weight of 269.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octan-2-yl(quinolin-7-yl)methanol is sourced from PubChem (CID 81210048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).