ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate

C24H24FNO5 — CID 142415692

IUPACethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
SMILESCCOC(=O)c1cn2c(c(F)c1=O)-c1cc(C=O)c(OCC3CC3)cc1CC21CCC1
InChIInChI=1S/C24H24FNO5/c1-2-30-23(29)18-11-26-21(20(25)22(18)28)17-8-16(12-27)19(31-13-14-4-5-14)9-15(17)10-24(26)6-3-7-24/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyNLSVFSGQBPNIBR-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.87
Rot. Bonds6

About ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate

ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate (PubChem CID 142415692) has the molecular formula C24H24FNO5 and a molecular weight of 425.46 g/mol. Its IUPAC name is ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
PubChem CID142415692
Molecular FormulaC24H24FNO5
Molecular Weight425.46 g/mol
Exact Mass425.16
IUPAC Nameethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
SMILESCCOC(=O)c1cn2c(c(F)c1=O)-c1cc(C=O)c(OCC3CC3)cc1CC21CCC1
InChIInChI=1S/C24H24FNO5/c1-2-30-23(29)18-11-26-21(20(25)22(18)28)17-8-16(12-27)19(31-13-14-4-5-14)9-15(17)10-24(26)6-3-7-24/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyNLSVFSGQBPNIBR-UHFFFAOYSA-N
XLogP3.87
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate with MolForge

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Related Compounds

ethyl 1-fluoro-10-formyl-9-hydroxy-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 142415718
ethyl 9-(cyclopropylmethoxy)-2-oxo-10-(trifluoromethyl)spiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 142415757
3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid
CID 138534425
ethyl 9-(cyclopropylmethoxy)-10-(3-hydroxypropyl)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313671
ethyl 10-methyl-9-(oxetan-3-ylmethoxy)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313602
ethyl 9,10-dimethoxy-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135314034
10-chloro-9-(cyclopropylmethoxy)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylic acid
CID 135314056
ethyl 10-bromo-9-(cyclopropylmethoxy)-6-methyl-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
CID 135313512
ethyl 10-bromo-1-fluoro-6-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylate
CID 142415795
ethyl 2-oxo-10-pyrrolidin-1-yl-9-(trifluoromethylsulfonyloxy)spiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135314323
ethyl 9-(butoxymethyl)-10-methoxy-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 142415878
ethyl 2-oxo-9-phenylmethoxy-10-pyrrolidin-1-ylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313244

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
The IUPAC name of ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate (CID 142415692) is ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate.
What is the SMILES notation for ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
The canonical SMILES for ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate is CCOC(=O)c1cn2c(c(F)c1=O)-c1cc(C=O)c(OCC3CC3)cc1CC21CCC1.
What is the InChIKey of ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
The InChIKey is NLSVFSGQBPNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO5/c1-2-30-23(29)18-11-26-21(20(25)22(18)28)17-8-16(12-27)19(31-13-14-4-5-14)9-15(17)10-24(26)6-3-7-24/h8-9,11-12,14H,2-7,10,13H2,1H3.
What are the key properties of ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate?
ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(cyclopropylmethoxy)-1-fluoro-10-formyl-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate is sourced from PubChem (CID 142415692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).