1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one

C22H24N4O3 — CID 9077285

IUPAC1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESCOc1ccc(CN2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-29-18-8-6-17(7-9-18)15-24-10-12-25(13-11-24)22(28)16-26-20-5-3-2-4-19(20)21(27)14-23-26/h2-9,14H,10-13,15-16H2,1H3
InChIKeyWOUHTSHWAQSJGJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.75
Rot. Bonds5

About 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one

1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one (PubChem CID 9077285) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
PubChem CID9077285
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESCOc1ccc(CN2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-29-18-8-6-17(7-9-18)15-24-10-12-25(13-11-24)22(28)16-26-20-5-3-2-4-19(20)21(27)14-23-26/h2-9,14H,10-13,15-16H2,1H3
InChIKeyWOUHTSHWAQSJGJ-UHFFFAOYSA-N
XLogP1.75
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
The IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one (CID 9077285) is 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one is COc1ccc(CN2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1.
What is the InChIKey of 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
The InChIKey is WOUHTSHWAQSJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-18-8-6-17(7-9-18)15-24-10-12-25(13-11-24)22(28)16-26-20-5-3-2-4-19(20)21(27)14-23-26/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one has a molecular weight of 392.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one is sourced from PubChem (CID 9077285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).