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

C28H19NO6 — CID 163091631

IUPAC2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccccc1C=C1Oc2c(ccc3c2C(c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O
InChIInChI=1S/C28H19NO6/c1-33-21-9-5-3-7-16(21)13-23-26(31)17-10-11-22-25(27(17)35-23)18(14-24(30)34-22)19-12-15-6-2-4-8-20(15)29-28(19)32/h2-13,18H,14H2,1H3,(H,29,32)
InChIKeyBBQXKYBYDNBVFM-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.59
Rot. Bonds3

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

2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163091631) has the molecular formula C28H19NO6 and a molecular weight of 465.46 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID163091631
Molecular FormulaC28H19NO6
Molecular Weight465.46 g/mol
Exact Mass465.12
IUPAC Name2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccccc1C=C1Oc2c(ccc3c2C(c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O
InChIInChI=1S/C28H19NO6/c1-33-21-9-5-3-7-16(21)13-23-26(31)17-10-11-22-25(27(17)35-23)18(14-24(30)34-22)19-12-15-6-2-4-8-20(15)29-28(19)32/h2-13,18H,14H2,1H3,(H,29,32)
InChIKeyBBQXKYBYDNBVFM-UHFFFAOYSA-N
XLogP4.59
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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,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
(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
(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)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123081
(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
(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,9S)-9-(2,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123364
(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
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122258
2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163079688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 163091631) is 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccccc1C=C1Oc2c(ccc3c2C(c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is BBQXKYBYDNBVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO6/c1-33-21-9-5-3-7-16(21)13-23-26(31)17-10-11-22-25(27(17)35-23)18(14-24(30)34-22)19-12-15-6-2-4-8-20(15)29-28(19)32/h2-13,18H,14H2,1H3,(H,29,32).
What are the key properties of 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 465.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163091631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).