3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one

C22H24N4O2 — CID 120740186

IUPAC3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one
SMILESCCc1ccc(C2CNCCN2C(=O)c2nn(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-3-15-8-10-16(11-9-15)19-14-23-12-13-26(19)22(28)20-21(27)17-6-4-5-7-18(17)25(2)24-20/h4-11,19,23H,3,12-14H2,1-2H3
InChIKeyVPKGBXJDTSVJTA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.28
Rot. Bonds3

About 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one

3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one (PubChem CID 120740186) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one
PubChem CID120740186
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one
SMILESCCc1ccc(C2CNCCN2C(=O)c2nn(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-3-15-8-10-16(11-9-15)19-14-23-12-13-26(19)22(28)20-21(27)17-6-4-5-7-18(17)25(2)24-20/h4-11,19,23H,3,12-14H2,1-2H3
InChIKeyVPKGBXJDTSVJTA-UHFFFAOYSA-N
XLogP2.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 120741702
6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one
CID 120740250
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
CID 120741050
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 120740709
[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
2-(1,2-benzoxazol-3-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740495

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one?
The IUPAC name of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one (CID 120740186) is 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one.
What is the SMILES notation for 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one?
The canonical SMILES for 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one is CCc1ccc(C2CNCCN2C(=O)c2nn(C)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one?
The InChIKey is VPKGBXJDTSVJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-15-8-10-16(11-9-15)19-14-23-12-13-26(19)22(28)20-21(27)17-6-4-5-7-18(17)25(2)24-20/h4-11,19,23H,3,12-14H2,1-2H3.
What are the key properties of 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one?
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one is sourced from PubChem (CID 120740186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).