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

C18H20N2O3 — CID 3073168

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc3c1=O)C2
InChIInChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-19-16-5-3-2-4-14(16)17(15)21/h2-5,10-13H,6-9H2,1H3,(H,19,21)
InChIKeyYQUHQGUROPITGF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.31
Rot. Bonds2

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

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate (PubChem CID 3073168) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate
PubChem CID3073168
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc3c1=O)C2
InChIInChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-19-16-5-3-2-4-14(16)17(15)21/h2-5,10-13H,6-9H2,1H3,(H,19,21)
InChIKeyYQUHQGUROPITGF-UHFFFAOYSA-N
XLogP2.31
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-hydroxy-2-methylquinoline-3-carboxylate
CID 2986317
Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 220876
Amquinate
CID 28414
Methyl 4-hydroxyquinoline-3-carboxylate
CID 279958
6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Gnf-PF-4421
CID 684193
ethyl 4-oxo-6-propan-2-yl-1H-quinoline-3-carboxylate
CID 690399
methyl 6-butyl-4-oxo-1H-quinoline-3-carboxylate
CID 113716445
1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
CID 947929
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
Ethyl 4-hydroxy-6-methyl-3-quinolinecarboxylate
CID 718103
Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 707150

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate (CID 3073168) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate is CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc3c1=O)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is YQUHQGUROPITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-19-16-5-3-2-4-14(16)17(15)21/h2-5,10-13H,6-9H2,1H3,(H,19,21).
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3073168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).