ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate

C19H21N3O3 — CID 74441230

IUPACethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate
SMILESCCOC(=O)C1C(N)=NC2=C(CCCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H21N3O3/c1-2-25-17(23)15-16(20)21-13-9-5-3-7-11(13)19(15)12-8-4-6-10-14(12)22-18(19)24/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H2,20,21)(H,22,24)
InChIKeySEDLCDRCRBQTME-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.25
Rot. Bonds2

About ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate

ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate (PubChem CID 74441230) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate
PubChem CID74441230
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate
SMILESCCOC(=O)C1C(N)=NC2=C(CCCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H21N3O3/c1-2-25-17(23)15-16(20)21-13-9-5-3-7-11(13)19(15)12-8-4-6-10-14(12)22-18(19)24/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H2,20,21)(H,22,24)
InChIKeySEDLCDRCRBQTME-UHFFFAOYSA-N
XLogP2.25
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
CID 139227778
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
ethyl 3,3-dimethyl-2,5-dioxo-1,4-dihydro-1-benzazepine-4-carboxylate
CID 59851585
ethyl (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
CID 102597403
ethyl (1'S,3R,5'R,6'S)-2,4'-dioxo-1'-phenylspiro[1H-indole-3,7'-8-oxabicyclo[3.2.1]octane]-6'-carboxylate
CID 11349847
ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 102153182
ethyl 1-(2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)piperidine-2-carboxylate
CID 75795787
ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200842
diethyl 2,4-dimethyl-1,3-dihydro-1,5-benzodiazepine-2,3-dicarboxylate
CID 156598538
ethyl 7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene-9-carboxylate
CID 89207064

Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate (CID 74441230) is ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate is CCOC(=O)C1C(N)=NC2=C(CCCC2)C12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate?
The InChIKey is SEDLCDRCRBQTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-25-17(23)15-16(20)21-13-9-5-3-7-11(13)19(15)12-8-4-6-10-14(12)22-18(19)24/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H2,20,21)(H,22,24).
What are the key properties of ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate?
ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carboxylate is sourced from PubChem (CID 74441230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).