methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

C25H26N2O2 — CID 10178229

IUPACmethyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1C(c2ccc(-c3cnc4ccccc4c3)cc2)CC2CCC1N2C
InChIInChI=1S/C25H26N2O2/c1-27-20-11-12-23(27)24(25(28)29-2)21(14-20)17-9-7-16(8-10-17)19-13-18-5-3-4-6-22(18)26-15-19/h3-10,13,15,20-21,23-24H,11-12,14H2,1-2H3
InChIKeyQYQBPUFRGNLMIF-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.64
Rot. Bonds3

About methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 10178229) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID10178229
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Namemethyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1C(c2ccc(-c3cnc4ccccc4c3)cc2)CC2CCC1N2C
InChIInChI=1S/C25H26N2O2/c1-27-20-11-12-23(27)24(25(28)29-2)21(14-20)17-9-7-16(8-10-17)19-13-18-5-3-4-6-22(18)26-15-19/h3-10,13,15,20-21,23-24H,11-12,14H2,1-2H3
InChIKeyQYQBPUFRGNLMIF-UHFFFAOYSA-N
XLogP4.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 10178229) is methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is COC(=O)C1C(c2ccc(-c3cnc4ccccc4c3)cc2)CC2CCC1N2C.
What is the InChIKey of methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is QYQBPUFRGNLMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-27-20-11-12-23(27)24(25(28)29-2)21(14-20)17-9-7-16(8-10-17)19-13-18-5-3-4-6-22(18)26-15-19/h3-10,13,15,20-21,23-24H,11-12,14H2,1-2H3.
What are the key properties of methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-3-(4-quinolin-3-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 10178229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).