propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate

C18H21NO3 — CID 11381020

IUPACpropan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCC1=C2CCc3cc(C(=O)OC(C)C)ccc3N2CCC1=O
InChIInChI=1S/C18H21NO3/c1-11(2)22-18(21)14-5-7-16-13(10-14)4-6-15-12(3)17(20)8-9-19(15)16/h5,7,10-11H,4,6,8-9H2,1-3H3
InChIKeyOBMUUAJZUYBTNJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.25
Rot. Bonds2

About propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate

propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (PubChem CID 11381020) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
PubChem CID11381020
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namepropan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCC1=C2CCc3cc(C(=O)OC(C)C)ccc3N2CCC1=O
InChIInChI=1S/C18H21NO3/c1-11(2)22-18(21)14-5-7-16-13(10-14)4-6-15-12(3)17(20)8-9-19(15)16/h5,7,10-11H,4,6,8-9H2,1-3H3
InChIKeyOBMUUAJZUYBTNJ-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The IUPAC name of propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (CID 11381020) is propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.
What is the SMILES notation for propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The canonical SMILES for propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is CC1=C2CCc3cc(C(=O)OC(C)C)ccc3N2CCC1=O.
What is the InChIKey of propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The InChIKey is OBMUUAJZUYBTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11(2)22-18(21)14-5-7-16-13(10-14)4-6-15-12(3)17(20)8-9-19(15)16/h5,7,10-11H,4,6,8-9H2,1-3H3.
What are the key properties of propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is sourced from PubChem (CID 11381020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).