[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate

C19H22N2O3 — CID 10449058

IUPAC[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCc1[nH]c2ccccc2c(=O)c1C(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C19H22N2O3/c1-11-17(18(22)15-5-3-4-6-16(15)20-11)19(23)24-14-9-12-7-8-13(10-14)21(12)2/h3-6,12-14H,7-10H2,1-2H3,(H,20,22)/t12-,13+,14?
InChIKeyXZKWYNHJKOWJQY-PBWFPOADSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds2

About [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 10449058) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID10449058
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCc1[nH]c2ccccc2c(=O)c1C(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C19H22N2O3/c1-11-17(18(22)15-5-3-4-6-16(15)20-11)19(23)24-14-9-12-7-8-13(10-14)21(12)2/h3-6,12-14H,7-10H2,1-2H3,(H,20,22)/t12-,13+,14?
InChIKeyXZKWYNHJKOWJQY-PBWFPOADSA-N
XLogP2.62
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate with MolForge

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Related Compounds

methanesulfonic acid;[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 57330916
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,4,5-trimethyl-1H-pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 118718246
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
CID 5147770
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1-(3-methylbutyl)-2-oxoquinoline-4-carboxylate
CID 10022793
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 6-deuterio-1H-indole-3-carboxylate
CID 89080439
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate
CID 6328639
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate
CID 46226661
[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-chloro-1-(2-fluoroethyl)indole-3-carboxylate
CID 118436662
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 75059242
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,6,7-trideuterio-1H-indole-3-carboxylate
CID 45280332
2-hydroxypropane-1,2,3-tricarboxylic acid;[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 164512876
[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-chlorobenzoate
CID 6936122

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate (CID 10449058) is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate is Cc1[nH]c2ccccc2c(=O)c1C(=O)OC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is XZKWYNHJKOWJQY-PBWFPOADSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-11-17(18(22)15-5-3-4-6-16(15)20-11)19(23)24-14-9-12-7-8-13(10-14)21(12)2/h3-6,12-14H,7-10H2,1-2H3,(H,20,22)/t12-,13+,14?.
What are the key properties of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate?
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 10449058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).