(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone

C20H24N2O — CID 171948645

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CC4CCCC(C3)N4C)ccc2n1
InChIInChI=1S/C20H24N2O/c1-13-6-7-14-10-15(8-9-19(14)21-13)20(23)16-11-17-4-3-5-18(12-16)22(17)2/h6-10,16-18H,3-5,11-12H2,1-2H3
InChIKeyFGLHWNFGXMQVFG-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.99
Rot. Bonds2

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone (PubChem CID 171948645) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone
PubChem CID171948645
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CC4CCCC(C3)N4C)ccc2n1
InChIInChI=1S/C20H24N2O/c1-13-6-7-14-10-15(8-9-19(14)21-13)20(23)16-11-17-4-3-5-18(12-16)22(17)2/h6-10,16-18H,3-5,11-12H2,1-2H3
InChIKeyFGLHWNFGXMQVFG-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone (CID 171948645) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3CC4CCCC(C3)N4C)ccc2n1.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is FGLHWNFGXMQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-6-7-14-10-15(8-9-19(14)21-13)20(23)16-11-17-4-3-5-18(12-16)22(17)2/h6-10,16-18H,3-5,11-12H2,1-2H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 171948645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).