2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C29H21NO6 — CID 163089443

IUPAC2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C=C2Oc3c(ccc4c3C(c3cc5cccc(C)c5[nH]c3=O)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C29H21NO6/c1-15-4-3-5-17-13-21(29(33)30-26(15)17)20-14-24(31)35-22-11-10-19-27(32)23(36-28(19)25(20)22)12-16-6-8-18(34-2)9-7-16/h3-13,20H,14H2,1-2H3,(H,30,33)
InChIKeyVCDZUPMAMINQTM-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.90
Rot. Bonds3

About 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163089443) has the molecular formula C29H21NO6 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID163089443
Molecular FormulaC29H21NO6
Molecular Weight479.49 g/mol
Exact Mass479.14
IUPAC Name2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C=C2Oc3c(ccc4c3C(c3cc5cccc(C)c5[nH]c3=O)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C29H21NO6/c1-15-4-3-5-17-13-21(29(33)30-26(15)17)20-14-24(31)35-22-11-10-19-27(32)23(36-28(19)25(20)22)12-16-6-8-18(34-2)9-7-16/h3-13,20H,14H2,1-2H3,(H,30,33)
InChIKeyVCDZUPMAMINQTM-UHFFFAOYSA-N
XLogP4.90
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.90
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'}

Analyze 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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)-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-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616
(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,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123081
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
(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,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)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91637481
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 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) is 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(C=C2Oc3c(ccc4c3C(c3cc5cccc(C)c5[nH]c3=O)CC(=O)O4)C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is VCDZUPMAMINQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO6/c1-15-4-3-5-17-13-21(29(33)30-26(15)17)20-14-24(31)35-22-11-10-19-27(32)23(36-28(19)25(20)22)12-16-6-8-18(34-2)9-7-16/h3-13,20H,14H2,1-2H3,(H,30,33).
What are the key properties of 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 479.49 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163089443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).