methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate

C29H23NO5 — CID 3832569

IUPACmethyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
SMILESCOC(=O)C1C(c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N12
InChIInChI=1S/C29H23NO5/c1-34-19-14-11-18(12-15-19)24-25(28(33)35-2)30-22-10-6-3-7-17(22)13-16-23(30)29(24)26(31)20-8-4-5-9-21(20)27(29)32/h3-16,23-25H,1-2H3
InChIKeyMWQNMRAKXGFYHQ-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.30
Rot. Bonds3

About methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate

methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate (PubChem CID 3832569) has the molecular formula C29H23NO5 and a molecular weight of 465.51 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
PubChem CID3832569
Molecular FormulaC29H23NO5
Molecular Weight465.51 g/mol
Exact Mass465.16
IUPAC Namemethyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
SMILESCOC(=O)C1C(c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N12
InChIInChI=1S/C29H23NO5/c1-34-19-14-11-18(12-15-19)24-25(28(33)35-2)30-22-10-6-3-7-17(22)13-16-23(30)29(24)26(31)20-8-4-5-9-21(20)27(29)32/h3-16,23-25H,1-2H3
InChIKeyMWQNMRAKXGFYHQ-UHFFFAOYSA-N
XLogP4.30
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 3490311
(1R,2R,3aS)-1-benzoyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 26917314
(1R,2S,3aR)-2-(4-methoxyphenyl)-1-(4-methylbenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 40929606
(1R,2R,3aS)-1-(2-chlorobenzoyl)-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 98176981
(1R,2R,3aS)-2-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 40978477
methyl 2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
CID 3885640
(1R,2R,3aR)-1-acetyl-7-chloro-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 41010573
methyl (1R,2R,3aS)-2-(2-ethoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
CID 41000551
(1R,2S,3aR)-1-(3-methoxybenzoyl)-2-(4-methylphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 40929230
ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
CID 3645938
(1S,2R,3aS)-1-(3-methoxybenzoyl)-2-(4-methylphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 26899184
(1R,2R,3aR)-1-acetyl-2-(3,4-dimethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
CID 40872328

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate (CID 3832569) is methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate is COC(=O)C1C(c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N12.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?
The InChIKey is MWQNMRAKXGFYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5/c1-34-19-14-11-18(12-15-19)24-25(28(33)35-2)30-22-10-6-3-7-17(22)13-16-23(30)29(24)26(31)20-8-4-5-9-21(20)27(29)32/h3-16,23-25H,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?
methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate is sourced from PubChem (CID 3832569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).