(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate

C20H23NO4 — CID 53338058

IUPAC(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOc1cc(=O)n2c(c1C(=O)OCc1ccc(C)cc1)CCCC2
InChIInChI=1S/C20H23NO4/c1-3-24-17-12-18(22)21-11-5-4-6-16(21)19(17)20(23)25-13-15-9-7-14(2)8-10-15/h7-10,12H,3-6,11,13H2,1-2H3
InChIKeyLFGFNMJQQOLOTH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.25
Rot. Bonds5

About (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate

(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (PubChem CID 53338058) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
PubChem CID53338058
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOc1cc(=O)n2c(c1C(=O)OCc1ccc(C)cc1)CCCC2
InChIInChI=1S/C20H23NO4/c1-3-24-17-12-18(22)21-11-5-4-6-16(21)19(17)20(23)25-13-15-9-7-14(2)8-10-15/h7-10,12H,3-6,11,13H2,1-2H3
InChIKeyLFGFNMJQQOLOTH-UHFFFAOYSA-N
XLogP3.25
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (CID 53338058) is (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is CCOc1cc(=O)n2c(c1C(=O)OCc1ccc(C)cc1)CCCC2.
What is the InChIKey of (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The InChIKey is LFGFNMJQQOLOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-24-17-12-18(22)21-11-5-4-6-16(21)19(17)20(23)25-13-15-9-7-14(2)8-10-15/h7-10,12H,3-6,11,13H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is sourced from PubChem (CID 53338058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).