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

C27H17NO5 — CID 125123081

IUPAC(2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1
InChIInChI=1S/C27H17NO5/c29-23-14-18(19-13-16-8-4-5-9-20(16)28-27(19)31)24-21(32-23)11-10-17-25(30)22(33-26(17)24)12-15-6-2-1-3-7-15/h1-13,18H,14H2,(H,28,31)/b22-12-/t18-/m0/s1
InChIKeyVBGOMNXTMVOJKL-AIRTYWKNSA-N
MW435.44 g/mol
LogP4.59
Rot. Bonds2

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

(2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 125123081) has the molecular formula C27H17NO5 and a molecular weight of 435.44 g/mol. Its IUPAC name is (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID125123081
Molecular FormulaC27H17NO5
Molecular Weight435.44 g/mol
Exact Mass435.11
IUPAC Name(2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1
InChIInChI=1S/C27H17NO5/c29-23-14-18(19-13-16-8-4-5-9-20(16)28-27(19)31)24-21(32-23)11-10-17-25(30)22(33-26(17)24)12-15-6-2-1-3-7-15/h1-13,18H,14H2,(H,28,31)/b22-12-/t18-/m0/s1
InChIKeyVBGOMNXTMVOJKL-AIRTYWKNSA-N
XLogP4.59
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.59
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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Related Compounds

(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
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127253029
(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122705
2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091631
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99998041
(2E,9S)-9-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99998274
(2E)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564708
2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163089443
2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162879710
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110207267
(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206822
(2Z,9R)-9-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122383

Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 125123081) is (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1.
What is the InChIKey of (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is VBGOMNXTMVOJKL-AIRTYWKNSA-N. The full InChI is InChI=1S/C27H17NO5/c29-23-14-18(19-13-16-8-4-5-9-20(16)28-27(19)31)24-21(32-23)11-10-17-25(30)22(33-26(17)24)12-15-6-2-1-3-7-15/h1-13,18H,14H2,(H,28,31)/b22-12-/t18-/m0/s1.
What are the key properties of (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 435.44 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 125123081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).