8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate

C20H24N2O3 — CID 70193954

IUPAC8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCC(C)n1c(=O)c(C(=O)OC2CC3CCC(C2)N3)cc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-12(2)22-18-6-4-3-5-13(18)9-17(19(22)23)20(24)25-16-10-14-7-8-15(11-16)21-14/h3-6,9,12,14-16,21H,7-8,10-11H2,1-2H3
InChIKeyLFHDJFPQEPCSHF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.02
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate

8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate (PubChem CID 70193954) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate
PubChem CID70193954
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCC(C)n1c(=O)c(C(=O)OC2CC3CCC(C2)N3)cc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-12(2)22-18-6-4-3-5-13(18)9-17(19(22)23)20(24)25-16-10-14-7-8-15(11-16)21-14/h3-6,9,12,14-16,21H,7-8,10-11H2,1-2H3
InChIKeyLFHDJFPQEPCSHF-UHFFFAOYSA-N
XLogP3.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate (CID 70193954) is 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate is CC(C)n1c(=O)c(C(=O)OC2CC3CCC(C2)N3)cc2ccccc21.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The InChIKey is LFHDJFPQEPCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12(2)22-18-6-4-3-5-13(18)9-17(19(22)23)20(24)25-16-10-14-7-8-15(11-16)21-14/h3-6,9,12,14-16,21H,7-8,10-11H2,1-2H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate?
8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 70193954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).