ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate

C22H17N3O5 — CID 3162765

IUPACethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C12C(=O)Nc1ccccc12
InChIInChI=1S/C22H17N3O5/c1-2-29-20(27)16-18(23)30-17-11-7-3-5-9-13(11)24-19(26)15(17)22(16)12-8-4-6-10-14(12)25-21(22)28/h3-10H,2,23H2,1H3,(H,24,26)(H,25,28)
InChIKeyZJZYJNWOCNDKKX-UHFFFAOYSA-N
MW403.39 g/mol
LogP1.89
Rot. Bonds2

About ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate

ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate (PubChem CID 3162765) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate
PubChem CID3162765
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Nameethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C12C(=O)Nc1ccccc12
InChIInChI=1S/C22H17N3O5/c1-2-29-20(27)16-18(23)30-17-11-7-3-5-9-13(11)24-19(26)15(17)22(16)12-8-4-6-10-14(12)25-21(22)28/h3-10H,2,23H2,1H3,(H,24,26)(H,25,28)
InChIKeyZJZYJNWOCNDKKX-UHFFFAOYSA-N
XLogP1.89
TPSA123.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate (CID 3162765) is ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate?
The InChIKey is ZJZYJNWOCNDKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-2-29-20(27)16-18(23)30-17-11-7-3-5-9-13(11)24-19(26)15(17)22(16)12-8-4-6-10-14(12)25-21(22)28/h3-10H,2,23H2,1H3,(H,24,26)(H,25,28).
What are the key properties of ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate?
ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate has a molecular weight of 403.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate is sourced from PubChem (CID 3162765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).