4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

C23H26N2O3 — CID 10317514

IUPAC4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12
InChIInChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
InChIKeyZYBLSQVXWVJACW-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.69
Rot. Bonds6

About 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one (PubChem CID 10317514) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
PubChem CID10317514
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12
InChIInChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
InChIKeyZYBLSQVXWVJACW-UHFFFAOYSA-N
XLogP3.69
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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7-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
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7-Methoxy-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-2-oxo-2H-chromene-3-carboxamide (9j)
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7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one
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3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10384998
[3-[4-(3,4-Dimethyl-2-oxochromen-7-yl)oxybutoxy]-5-hydroxyphenyl]-trimethylazanium iodide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one (CID 10317514) is 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12.
What is the InChIKey of 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The InChIKey is ZYBLSQVXWVJACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3.
What are the key properties of 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one is sourced from PubChem (CID 10317514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).