N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide

C18H21N3O2 — CID 3073104

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c[nH]c3ccccc3c1=O)C2
InChIInChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyZPEDRMCLQWINAG-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.88
Rot. Bonds2

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3073104) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3073104
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c[nH]c3ccccc3c1=O)C2
InChIInChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyZPEDRMCLQWINAG-UHFFFAOYSA-N
XLogP1.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 3073104) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide is CN1C2CCC1CC(NC(=O)c1c[nH]c3ccccc3c1=O)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZPEDRMCLQWINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3073104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).