(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate

C19H22N2O2 — CID 54421327

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate
SMILESCN1C2CCCC1CC(OC(=O)c1cnc3ccccc3c1)C2
InChIInChI=1S/C19H22N2O2/c1-21-15-6-4-7-16(21)11-17(10-15)23-19(22)14-9-13-5-2-3-8-18(13)20-12-14/h2-3,5,8-9,12,15-17H,4,6-7,10-11H2,1H3
InChIKeyWAZSDKDOOAUVAD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.41
Rot. Bonds2

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate (PubChem CID 54421327) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate
PubChem CID54421327
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate
SMILESCN1C2CCCC1CC(OC(=O)c1cnc3ccccc3c1)C2
InChIInChI=1S/C19H22N2O2/c1-21-15-6-4-7-16(21)11-17(10-15)23-19(22)14-9-13-5-2-3-8-18(13)20-12-14/h2-3,5,8-9,12,15-17H,4,6-7,10-11H2,1H3
InChIKeyWAZSDKDOOAUVAD-UHFFFAOYSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate (CID 54421327) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate is CN1C2CCCC1CC(OC(=O)c1cnc3ccccc3c1)C2.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate?
The InChIKey is WAZSDKDOOAUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21-15-6-4-7-16(21)11-17(10-15)23-19(22)14-9-13-5-2-3-8-18(13)20-12-14/h2-3,5,8-9,12,15-17H,4,6-7,10-11H2,1H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate is sourced from PubChem (CID 54421327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).