3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one

C25H19N3O3 — CID 135580371

IUPAC3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESCOc1cccc(-n2c(/C=C3\C(=O)Nc4ccc(C)cc43)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H19N3O3/c1-15-10-11-22-19(12-15)20(24(29)27-22)14-23-26-21-9-4-3-8-18(21)25(30)28(23)16-6-5-7-17(13-16)31-2/h3-14H,1-2H3,(H,27,29)/b20-14-
InChIKeyWQVKWOFHWSTDLR-ZHZULCJRSA-N
MW409.45 g/mol
LogP4.20
Rot. Bonds3

About 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one

3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (PubChem CID 135580371) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
PubChem CID135580371
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESCOc1cccc(-n2c(/C=C3\C(=O)Nc4ccc(C)cc43)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H19N3O3/c1-15-10-11-22-19(12-15)20(24(29)27-22)14-23-26-21-9-4-3-8-18(21)25(30)28(23)16-6-5-7-17(13-16)31-2/h3-14H,1-2H3,(H,27,29)/b20-14-
InChIKeyWQVKWOFHWSTDLR-ZHZULCJRSA-N
XLogP4.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one with MolForge

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Related Compounds

2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 135531721
3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 2893143
6-iodo-3-(4-methoxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 135585060
3-(4-bromophenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 135757484
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 3398441
ethyl 4-[4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-3-yl]benzoate
CID 135449526
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-(2-chlorophenyl)quinazolin-4-one
CID 2921515
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 5342228

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The IUPAC name of 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (CID 135580371) is 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is COc1cccc(-n2c(/C=C3\C(=O)Nc4ccc(C)cc43)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The InChIKey is WQVKWOFHWSTDLR-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-15-10-11-22-19(12-15)20(24(29)27-22)14-23-26-21-9-4-3-8-18(21)25(30)28(23)16-6-5-7-17(13-16)31-2/h3-14H,1-2H3,(H,27,29)/b20-14-.
What are the key properties of 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one has a molecular weight of 409.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is sourced from PubChem (CID 135580371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).