ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate

C19H19Cl2NO3 — CID 129080208

IUPACethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(Cl)c(Cl)c2)c(=O)n2c1CCCC2
InChIInChI=1S/C19H19Cl2NO3/c1-2-25-19(24)14-11-13(9-12-6-7-15(20)16(21)10-12)18(23)22-8-4-3-5-17(14)22/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyZXKIAKSHENBFNF-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.26
Rot. Bonds4

About ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate

ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (PubChem CID 129080208) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
PubChem CID129080208
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Nameethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(Cl)c(Cl)c2)c(=O)n2c1CCCC2
InChIInChI=1S/C19H19Cl2NO3/c1-2-25-19(24)14-11-13(9-12-6-7-15(20)16(21)10-12)18(23)22-8-4-3-5-17(14)22/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyZXKIAKSHENBFNF-UHFFFAOYSA-N
XLogP4.26
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate with MolForge

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Related Compounds

ethyl 6-[(2-chloro-4-methylphenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 126546303
methyl 3-[(2-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 129080218
ethyl 3-(2,2,2-trichloroacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 121390092
ethane;methyl 6-[(2-bromophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 145302341
ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
CID 146496064
ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 591709
diethyl 1-[(2-chlorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarboxylate
CID 71823805
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 5-[(3,4-dichlorophenyl)methyl]-1-methyl-1,2,4-triazole-3-carboxylate
CID 63382214
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate
CID 19875255
ethyl 4-[(3,4-dichlorophenyl)methyl]-2-phenyl-1H-pyrrole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The IUPAC name of ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (CID 129080208) is ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is CCOC(=O)c1cc(Cc2ccc(Cl)c(Cl)c2)c(=O)n2c1CCCC2.
What is the InChIKey of ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The InChIKey is ZXKIAKSHENBFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-2-25-19(24)14-11-13(9-12-6-7-15(20)16(21)10-12)18(23)22-8-4-3-5-17(14)22/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate has a molecular weight of 380.27 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is sourced from PubChem (CID 129080208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).