(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C30H23NO5 — CID 125430426

IUPAC(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C30H23NO5/c1-16(2)18-9-7-17(8-10-18)13-25-28(33)20-11-12-24-27(29(20)36-25)21(15-26(32)35-24)22-14-19-5-3-4-6-23(19)31-30(22)34/h3-14,16,21H,15H2,1-2H3,(H,31,34)/b25-13-/t21-/m0/s1
InChIKeyLRBNSKVPCVXSRU-CLVGQAISSA-N
MW477.52 g/mol
LogP5.71
Rot. Bonds3

About (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 125430426) has the molecular formula C30H23NO5 and a molecular weight of 477.52 g/mol. Its IUPAC name is (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID125430426
Molecular FormulaC30H23NO5
Molecular Weight477.52 g/mol
Exact Mass477.16
IUPAC Name(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C30H23NO5/c1-16(2)18-9-7-17(8-10-18)13-25-28(33)20-11-12-24-27(29(20)36-25)21(15-26(32)35-24)22-14-19-5-3-4-6-23(19)31-30(22)34/h3-14,16,21H,15H2,1-2H3,(H,31,34)/b25-13-/t21-/m0/s1
InChIKeyLRBNSKVPCVXSRU-CLVGQAISSA-N
XLogP5.71
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 125430426) is (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C2=O)cc1.
What is the InChIKey of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is LRBNSKVPCVXSRU-CLVGQAISSA-N. The full InChI is InChI=1S/C30H23NO5/c1-16(2)18-9-7-17(8-10-18)13-25-28(33)20-11-12-24-27(29(20)36-25)21(15-26(32)35-24)22-14-19-5-3-4-6-23(19)31-30(22)34/h3-14,16,21H,15H2,1-2H3,(H,31,34)/b25-13-/t21-/m0/s1.
What are the key properties of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 477.52 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 125430426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).