ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

C17H17NO3 — CID 11737655

IUPACethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1ccccc1C[C@@H]2C
InChIInChI=1S/C17H17NO3/c1-3-21-17(20)14-10-18-11(2)8-12-6-4-5-7-13(12)15(18)9-16(14)19/h4-7,9-11H,3,8H2,1-2H3/t11-/m0/s1
InChIKeyLRUMTQPDXVUJFS-NSHDSACASA-N
MW283.33 g/mol
LogP2.81
Rot. Bonds2

About ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate (PubChem CID 11737655) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
PubChem CID11737655
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1ccccc1C[C@@H]2C
InChIInChI=1S/C17H17NO3/c1-3-21-17(20)14-10-18-11(2)8-12-6-4-5-7-13(12)15(18)9-16(14)19/h4-7,9-11H,3,8H2,1-2H3/t11-/m0/s1
InChIKeyLRUMTQPDXVUJFS-NSHDSACASA-N
XLogP2.81
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
Ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)-1,4-dihydro-3-pyridinecarboxylate
CID 70704128
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
1-(2,6-Difluorobenzyl)-2,6-dimethyl-3-ethoxycarbonyl-4-pyridone
CID 22327243
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-propyl-7H-benzo[a]quinolizine-3-carboxylate
CID 142415944
4-(1-ethyl-5,6-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-oxocyclohexa-1,4-diene-1-carboxylic acid
CID 161593127

Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The IUPAC name of ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate (CID 11737655) is ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate.
What is the SMILES notation for ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The canonical SMILES for ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1ccccc1C[C@@H]2C.
What is the InChIKey of ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
The InChIKey is LRUMTQPDXVUJFS-NSHDSACASA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-17(20)14-10-18-11(2)8-12-6-4-5-7-13(12)15(18)9-16(14)19/h4-7,9-11H,3,8H2,1-2H3/t11-/m0/s1.
What are the key properties of ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate?
ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate is sourced from PubChem (CID 11737655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).