ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

C17H15F2NO3 — CID 11427146

IUPACethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc(F)c(F)cc1CC2C
InChIInChI=1S/C17H15F2NO3/c1-3-23-17(22)12-8-20-9(2)4-10-5-13(18)14(19)6-11(10)15(20)7-16(12)21/h5-9H,3-4H2,1-2H3
InChIKeyHPRQCXARAQQSSV-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.09
Rot. Bonds2

About ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate (PubChem CID 11427146) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
PubChem CID11427146
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Nameethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc(F)c(F)cc1CC2C
InChIInChI=1S/C17H15F2NO3/c1-3-23-17(22)12-8-20-9(2)4-10-5-13(18)14(19)6-11(10)15(20)7-16(12)21/h5-9H,3-4H2,1-2H3
InChIKeyHPRQCXARAQQSSV-UHFFFAOYSA-N
XLogP3.09
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate with MolForge

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Related Compounds

(6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 11242266
6-Methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 72765913
(6R)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 44388330
9,10-Difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 11185401
Ethyl 6-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylate
CID 20156784
Ethyl 2,6-bis(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159963
1-(2,6-Difluorobenzyl)-2,6-dimethyl-3-ethoxycarbonyl-4-pyridone
CID 22327243
4-Hydroxy-6-(2-trifluoromethyl-phenyl)-nicotinic acid ethyl ester
CID 59015787
9-Fluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251929
ethyl 10-(difluoromethyl)-9-ethynyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 142415761
ethyl 9-benzyl-10-(difluoromethyl)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 142415810
ethyl 10-(difluoromethyl)-6-methyl-2-oxo-6-propan-2-yl-9-(2-trimethylsilylethynyl)-7H-benzo[a]quinolizine-3-carboxylate
CID 142415908

Frequently Asked Questions

What is the IUPAC name of ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The IUPAC name of ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate (CID 11427146) is ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate.
What is the SMILES notation for ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The canonical SMILES for ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1cc(F)c(F)cc1CC2C.
What is the InChIKey of ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The InChIKey is HPRQCXARAQQSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-3-23-17(22)12-8-20-9(2)4-10-5-13(18)14(19)6-11(10)15(20)7-16(12)21/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate is sourced from PubChem (CID 11427146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).