ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate

C23H27NO3 — CID 142415751

IUPACethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc(C3CC3)ccc1CC2(C)C(C)C
InChIInChI=1S/C23H27NO3/c1-5-27-22(26)19-13-24-20(11-21(19)25)18-10-16(15-6-7-15)8-9-17(18)12-23(24,4)14(2)3/h8-11,13-15H,5-7,12H2,1-4H3
InChIKeyVVYOHNLFYFHKTG-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.50
Rot. Bonds4

About ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate

ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate (PubChem CID 142415751) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
PubChem CID142415751
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc(C3CC3)ccc1CC2(C)C(C)C
InChIInChI=1S/C23H27NO3/c1-5-27-22(26)19-13-24-20(11-21(19)25)18-10-16(15-6-7-15)8-9-17(18)12-23(24,4)14(2)3/h8-11,13-15H,5-7,12H2,1-4H3
InChIKeyVVYOHNLFYFHKTG-UHFFFAOYSA-N
XLogP4.50
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate with MolForge

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Related Compounds

10-(difluoromethyl)-6-methyl-2-oxo-6-propan-2-yl-9-propyl-7H-benzo[a]quinolizine-3-carboxylic acid
CID 135313389
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
ethyl 10-(difluoromethyl)-6-methyl-2-oxo-6-propan-2-yl-9-propyl-7H-benzo[a]quinolizine-3-carboxylate
CID 142415944
Ethyl 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 11427146
ethyl (2E)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-4,4,4-trifluoro-3-oxobutanoate
CID 21234939
ethyl (E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,2,2-trifluoroacetyl)but-2-enoate
CID 21234946
ethyl (2Z)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-oxobutanoate
CID 6139886
ethyl (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 11737655
Methyl 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylate
CID 12831231
6-Ethyl-9,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251807

Frequently Asked Questions

What is the IUPAC name of ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate?
The IUPAC name of ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate (CID 142415751) is ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate.
What is the SMILES notation for ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate?
The canonical SMILES for ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1cc(C3CC3)ccc1CC2(C)C(C)C.
What is the InChIKey of ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate?
The InChIKey is VVYOHNLFYFHKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-5-27-22(26)19-13-24-20(11-21(19)25)18-10-16(15-6-7-15)8-9-17(18)12-23(24,4)14(2)3/h8-11,13-15H,5-7,12H2,1-4H3.
What are the key properties of ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate?
ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-cyclopropyl-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate is sourced from PubChem (CID 142415751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).