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

C23H18N2O5 — CID 163000128

IUPAC2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C=C2Oc3c(ccc4c3C(c3cnn(C)c3)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C23H18N2O5/c1-25-12-14(11-24-25)17-10-20(26)29-18-8-7-16-22(27)19(30-23(16)21(17)18)9-13-3-5-15(28-2)6-4-13/h3-9,11-12,17H,10H2,1-2H3
InChIKeyGWQBPUCXONKGNR-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.49
Rot. Bonds3

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

2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163000128) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID163000128
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C=C2Oc3c(ccc4c3C(c3cnn(C)c3)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C23H18N2O5/c1-25-12-14(11-24-25)17-10-20(26)29-18-8-7-16-22(27)19(30-23(16)21(17)18)9-13-3-5-15(28-2)6-4-13/h3-9,11-12,17H,10H2,1-2H3
InChIKeyGWQBPUCXONKGNR-UHFFFAOYSA-N
XLogP3.49
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-2-[(4-methoxyphenyl)methylidene]-9-(2-methylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91636704
(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99988771
(2E,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991304
4-[2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]benzoic acid
CID 163024314
(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616
(2Z,9R)-2-[(4-methoxyphenyl)methylidene]-9-(3-methoxy-4-propan-2-yloxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99995987
[2,6-dimethoxy-4-[(2E,9S)-2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenyl] acetate
CID 99984054
(2Z,9S)-2-[(4-methoxyphenyl)methylidene]-9-(4-octoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99983839
9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163069735
(2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991445
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 163000128) is 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(C=C2Oc3c(ccc4c3C(c3cnn(C)c3)CC(=O)O4)C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is GWQBPUCXONKGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-25-12-14(11-24-25)17-10-20(26)29-18-8-7-16-22(27)19(30-23(16)21(17)18)9-13-3-5-15(28-2)6-4-13/h3-9,11-12,17H,10H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 402.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163000128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).