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

C19H23NO3 — CID 11243912

IUPACtert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCC1=C2CCc3cc(C(=O)OC(C)(C)C)ccc3N2CCC1=O
InChIInChI=1S/C19H23NO3/c1-12-15-7-5-13-11-14(18(22)23-19(2,3)4)6-8-16(13)20(15)10-9-17(12)21/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyMBSVEGCTTZPXQP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.64
Rot. Bonds1

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

tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (PubChem CID 11243912) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
PubChem CID11243912
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nametert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCC1=C2CCc3cc(C(=O)OC(C)(C)C)ccc3N2CCC1=O
InChIInChI=1S/C19H23NO3/c1-12-15-7-5-13-11-14(18(22)23-19(2,3)4)6-8-16(13)20(15)10-9-17(12)21/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyMBSVEGCTTZPXQP-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The IUPAC name of tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (CID 11243912) is tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is CC1=C2CCc3cc(C(=O)OC(C)(C)C)ccc3N2CCC1=O.
What is the InChIKey of tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The InChIKey is MBSVEGCTTZPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-15-7-5-13-11-14(18(22)23-19(2,3)4)6-8-16(13)20(15)10-9-17(12)21/h6,8,11H,5,7,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is sourced from PubChem (CID 11243912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).