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

C21H22N4O3 — CID 8969458

IUPAC1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESCOc1ccc(N2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-17-8-6-16(7-9-17)23-10-12-24(13-11-23)21(27)15-25-19-5-3-2-4-18(19)20(26)14-22-25/h2-9,14H,10-13,15H2,1H3
InChIKeyHVRLROCYXQNFBQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.75
Rot. Bonds4

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

1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one (PubChem CID 8969458) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
PubChem CID8969458
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESCOc1ccc(N2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-17-8-6-16(7-9-17)23-10-12-24(13-11-23)21(27)15-25-19-5-3-2-4-18(19)20(26)14-22-25/h2-9,14H,10-13,15H2,1H3
InChIKeyHVRLROCYXQNFBQ-UHFFFAOYSA-N
XLogP1.75
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 9077285
10-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]acridin-9-one
CID 55918166
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
CID 18089247
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 20877389
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5015961
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 71826222
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone
CID 25491118
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
1-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 9092832

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
The IUPAC name of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one (CID 8969458) is 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one is COc1ccc(N2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
The InChIKey is HVRLROCYXQNFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-17-8-6-16(7-9-17)23-10-12-24(13-11-23)21(27)15-25-19-5-3-2-4-18(19)20(26)14-22-25/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one?
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one has a molecular weight of 378.43 g/mol, XLogP of 1.75, 4 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)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one is sourced from PubChem (CID 8969458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).