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

C19H20ClNO4 — CID 53179871

IUPAC(4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOc1cc(=O)n2c(c1C(=O)OCc1ccc(Cl)cc1)CCCC2
InChIInChI=1S/C19H20ClNO4/c1-2-24-16-11-17(22)21-10-4-3-5-15(21)18(16)19(23)25-12-13-6-8-14(20)9-7-13/h6-9,11H,2-5,10,12H2,1H3
InChIKeyGUQCEFIGLZQZAT-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.59
Rot. Bonds5

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

(4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (PubChem CID 53179871) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
PubChem CID53179871
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name(4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOc1cc(=O)n2c(c1C(=O)OCc1ccc(Cl)cc1)CCCC2
InChIInChI=1S/C19H20ClNO4/c1-2-24-16-11-17(22)21-10-4-3-5-15(21)18(16)19(23)25-12-13-6-8-14(20)9-7-13/h6-9,11H,2-5,10,12H2,1H3
InChIKeyGUQCEFIGLZQZAT-UHFFFAOYSA-N
XLogP3.59
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylbenzyl 8-ethoxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
CID 53179872
4-methylbenzyl 8-ethoxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
CID 53338058
4-fluorobenzyl 8-ethoxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
CID 53338059
6-(4-Chlorophenyl)-4-piperidin-1-ylpyran-2-one
CID 85566267
6-(4-Chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 11045270
6-(4-chlorophenyl)-5-methyl-4-(4-morpholinyl)-2-oxo-2H-pyran-3-carbonitrile
CID 123132209
6-(3-Chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 164665659
(3-Fluorophenyl)methyl 8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate
CID 53179873
Ethyl 8-(3,4-dichlorophenyl)-2,6-dioxo-7-oxa-1-azatricyclo[7.3.1.05,13]trideca-3,5(13)-diene-3-carboxylate
CID 287728
6-(4-Chlorophenyl)-4-(4-methylpiperidin-1-yl)-2-oxopyran-3-carbonitrile
CID 10616298
tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
CID 130182784
tert-butyl 8-butyl-2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
CID 130182873

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (CID 53179871) is (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is CCOc1cc(=O)n2c(c1C(=O)OCc1ccc(Cl)cc1)CCCC2.
What is the InChIKey of (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The InChIKey is GUQCEFIGLZQZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-2-24-16-11-17(22)21-10-4-3-5-15(21)18(16)19(23)25-12-13-6-8-14(20)9-7-13/h6-9,11H,2-5,10,12H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
(4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is sourced from PubChem (CID 53179871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).