7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one

C29H28N4O4 — CID 66572732

IUPAC7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one
SMILESCOc1ccc(N2CCN(/C(=N\Nc3ccc4c(=O)cc(-c5ccccc5)oc4c3)C(C)=O)CC2)cc1
InChIInChI=1S/C29H28N4O4/c1-20(34)29(33-16-14-32(15-17-33)23-9-11-24(36-2)12-10-23)31-30-22-8-13-25-26(35)19-27(37-28(25)18-22)21-6-4-3-5-7-21/h3-13,18-19,30H,14-17H2,1-2H3/b31-29-
InChIKeyBHQBNCYXYXHIRG-YCNYHXFESA-N
MW496.57 g/mol
LogP4.61
Rot. Bonds6

About 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one

7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one (PubChem CID 66572732) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one
PubChem CID66572732
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one
SMILESCOc1ccc(N2CCN(/C(=N\Nc3ccc4c(=O)cc(-c5ccccc5)oc4c3)C(C)=O)CC2)cc1
InChIInChI=1S/C29H28N4O4/c1-20(34)29(33-16-14-32(15-17-33)23-9-11-24(36-2)12-10-23)31-30-22-8-13-25-26(35)19-27(37-28(25)18-22)21-6-4-3-5-7-21/h3-13,18-19,30H,14-17H2,1-2H3/b31-29-
InChIKeyBHQBNCYXYXHIRG-YCNYHXFESA-N
XLogP4.61
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one
CID 45140259
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 18568866
7-hydroxy-2-phenylchromen-4-one
CID 5281894
ethyl (2R)-2-(4-oxo-2-phenylchromen-7-yl)oxybutanoate
CID 102074481
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931

Frequently Asked Questions

What is the IUPAC name of 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one?
The IUPAC name of 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one (CID 66572732) is 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one.
What is the SMILES notation for 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one?
The canonical SMILES for 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one is COc1ccc(N2CCN(/C(=N\Nc3ccc4c(=O)cc(-c5ccccc5)oc4c3)C(C)=O)CC2)cc1.
What is the InChIKey of 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one?
The InChIKey is BHQBNCYXYXHIRG-YCNYHXFESA-N. The full InChI is InChI=1S/C29H28N4O4/c1-20(34)29(33-16-14-32(15-17-33)23-9-11-24(36-2)12-10-23)31-30-22-8-13-25-26(35)19-27(37-28(25)18-22)21-6-4-3-5-7-21/h3-13,18-19,30H,14-17H2,1-2H3/b31-29-.
What are the key properties of 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one?
7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one has a molecular weight of 496.57 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one is sourced from PubChem (CID 66572732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).