ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate

C27H28N2O4 — CID 135313652

IUPACethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc(NC)c(OCc3ccccc3)cc1CC21CCC1
InChIInChI=1S/C27H28N2O4/c1-3-32-26(31)21-16-29-23(14-24(21)30)20-13-22(28-2)25(33-17-18-8-5-4-6-9-18)12-19(20)15-27(29)10-7-11-27/h4-6,8-9,12-14,16,28H,3,7,10-11,15,17H2,1-2H3
InChIKeyQVJGGUOZXPCQLR-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.75
Rot. Bonds6

About ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate

ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate (PubChem CID 135313652) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate.

Molecular Properties

Compound Nameethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
PubChem CID135313652
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Nameethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc(NC)c(OCc3ccccc3)cc1CC21CCC1
InChIInChI=1S/C27H28N2O4/c1-3-32-26(31)21-16-29-23(14-24(21)30)20-13-22(28-2)25(33-17-18-8-5-4-6-9-18)12-19(20)15-27(29)10-7-11-27/h4-6,8-9,12-14,16,28H,3,7,10-11,15,17H2,1-2H3
InChIKeyQVJGGUOZXPCQLR-UHFFFAOYSA-N
XLogP4.75
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate with MolForge

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Related Compounds

ethyl 2-oxo-9-phenylmethoxy-10-pyrrolidin-1-ylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313244
ethyl 10-methoxy-6,6-dimethyl-2-oxo-9-phenylmethoxy-7H-benzo[a]quinolizine-3-carboxylate
CID 135313905
ethyl 10-methyl-9-(oxetan-3-ylmethoxy)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313602
ethyl 2-oxo-10-pyrrolidin-1-yl-9-(trifluoromethylsulfonyloxy)spiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135314323
ethyl 9-(cyclopropylmethoxy)-2-oxo-10-(trifluoromethyl)spiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 142415757
ethyl 9-(cyclopropylmethoxy)-10-(3-hydroxypropyl)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313671
ethyl 1-(3-hydroxybutan-2-yl)-4-oxo-6-(2-phenylmethoxyphenyl)pyridine-3-carboxylate
CID 158947282
ethyl 10-bromo-1-fluoro-6-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
CID 142415795
ethyl 10-chloro-15-oxo-9-phenylmethoxyspiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-3,1'-cyclopropane]-16-carboxylate
CID 135296782
ethyl (6R)-10-chloro-3,3-dimethyl-15-oxo-9-phenylmethoxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylate
CID 140905883
10-chloro-9-(cyclopropylmethoxy)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylic acid
CID 135314056
ethyl 9-methoxy-3,3-dimethyl-14-oxo-8-phenylmethoxy-1,2-diazatetracyclo[10.4.0.02,5.06,11]hexadeca-6,8,10,12,15-pentaene-15-carboxylate
CID 142409318

Frequently Asked Questions

What is the IUPAC name of ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
The IUPAC name of ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate (CID 135313652) is ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate.
What is the SMILES notation for ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
The canonical SMILES for ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1cc(NC)c(OCc3ccccc3)cc1CC21CCC1.
What is the InChIKey of ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
The InChIKey is QVJGGUOZXPCQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-3-32-26(31)21-16-29-23(14-24(21)30)20-13-22(28-2)25(33-17-18-8-5-4-6-9-18)12-19(20)15-27(29)10-7-11-27/h4-6,8-9,12-14,16,28H,3,7,10-11,15,17H2,1-2H3.
What are the key properties of ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate has a molecular weight of 444.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate is sourced from PubChem (CID 135313652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).