methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate

C20H20N2O5 — CID 29055384

IUPACmethyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate
SMILESCOC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC1=C2C(=O)CC(C)(C)C1
InChIInChI=1S/C20H20N2O5/c1-19(2)8-12(23)14-13(9-19)27-18(25)20(14)10-6-4-5-7-11(10)22-16(21)15(20)17(24)26-3/h4-7,22H,8-9,21H2,1-3H3/t20-/m1/s1
InChIKeyZMPINJJTKIARIC-HXUWFJFHSA-N
MW368.39 g/mol
LogP1.89
Rot. Bonds1

About methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate

methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate (PubChem CID 29055384) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate
PubChem CID29055384
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate
SMILESCOC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC1=C2C(=O)CC(C)(C)C1
InChIInChI=1S/C20H20N2O5/c1-19(2)8-12(23)14-13(9-19)27-18(25)20(14)10-6-4-5-7-11(10)22-16(21)15(20)17(24)26-3/h4-7,22H,8-9,21H2,1-3H3/t20-/m1/s1
InChIKeyZMPINJJTKIARIC-HXUWFJFHSA-N
XLogP1.89
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate?
The IUPAC name of methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate (CID 29055384) is methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate.
What is the SMILES notation for methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate?
The canonical SMILES for methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate is COC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC1=C2C(=O)CC(C)(C)C1.
What is the InChIKey of methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate?
The InChIKey is ZMPINJJTKIARIC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-19(2)8-12(23)14-13(9-19)27-18(25)20(14)10-6-4-5-7-11(10)22-16(21)15(20)17(24)26-3/h4-7,22H,8-9,21H2,1-3H3/t20-/m1/s1.
What are the key properties of methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate?
methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate is sourced from PubChem (CID 29055384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).