(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol

C19H28N2O — CID 101150258

IUPAC(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol
SMILESCCC1CN2CCC1CC2C(O)C1CCNc2ccccc21
InChIInChI=1S/C19H28N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-6,13-14,16,18-20,22H,2,7-12H2,1H3
InChIKeyCDJFQJMIGVSQBM-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.07
Rot. Bonds3

About (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol

(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol (PubChem CID 101150258) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol
PubChem CID101150258
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol
SMILESCCC1CN2CCC1CC2C(O)C1CCNc2ccccc21
InChIInChI=1S/C19H28N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-6,13-14,16,18-20,22H,2,7-12H2,1H3
InChIKeyCDJFQJMIGVSQBM-UHFFFAOYSA-N
XLogP3.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol?
The IUPAC name of (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol (CID 101150258) is (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol.
What is the SMILES notation for (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol?
The canonical SMILES for (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol is CCC1CN2CCC1CC2C(O)C1CCNc2ccccc21.
What is the InChIKey of (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol?
The InChIKey is CDJFQJMIGVSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-6,13-14,16,18-20,22H,2,7-12H2,1H3.
What are the key properties of (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol?
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol has a molecular weight of 300.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol is sourced from PubChem (CID 101150258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).