(3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one

C23H21NO5 — CID 58843050

IUPAC(3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc2c(cc1OC)/C(=C/c1coc3ccc(C(C)C)cc3c1=O)C(=O)N2
InChIInChI=1S/C23H21NO5/c1-12(2)13-5-6-19-17(7-13)22(25)14(11-29-19)8-16-15-9-20(27-3)21(28-4)10-18(15)24-23(16)26/h5-12H,1-4H3,(H,24,26)/b16-8-
InChIKeyBCYLFAKOPUNGGZ-PXNMLYILSA-N
MW391.42 g/mol
LogP4.43
Rot. Bonds4

About (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one

(3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one (PubChem CID 58843050) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one
PubChem CID58843050
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc2c(cc1OC)/C(=C/c1coc3ccc(C(C)C)cc3c1=O)C(=O)N2
InChIInChI=1S/C23H21NO5/c1-12(2)13-5-6-19-17(7-13)22(25)14(11-29-19)8-16-15-9-20(27-3)21(28-4)10-18(15)24-23(16)26/h5-12H,1-4H3,(H,24,26)/b16-8-
InChIKeyBCYLFAKOPUNGGZ-PXNMLYILSA-N
XLogP4.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-chloro-3-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 112979126
(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 2360379
3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 3794321
6-chloro-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 4102790
3-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 3379285
(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 51063603
3-[(2-hydroxy-5-nitrophenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 3777776
5-[(6,7-dimethyl-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 87613631
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230
5-[(6-methoxy-4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4746431
1-(4-chlorophenyl)-5-[(6-methoxy-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90750515
5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2186033

Frequently Asked Questions

What is the IUPAC name of (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one (CID 58843050) is (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one is COc1cc2c(cc1OC)/C(=C/c1coc3ccc(C(C)C)cc3c1=O)C(=O)N2.
What is the InChIKey of (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is BCYLFAKOPUNGGZ-PXNMLYILSA-N. The full InChI is InChI=1S/C23H21NO5/c1-12(2)13-5-6-19-17(7-13)22(25)14(11-29-19)8-16-15-9-20(27-3)21(28-4)10-18(15)24-23(16)26/h5-12H,1-4H3,(H,24,26)/b16-8-.
What are the key properties of (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one?
(3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 391.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 58843050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).