1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one

C23H25N3O3 — CID 100742188

IUPAC1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-3-8-21-20(15-17)22(27)9-10-26(21)16-23(28)25-13-11-24(12-14-25)18-4-6-19(29-2)7-5-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeySGNFTWUVERVDHD-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one

1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one (PubChem CID 100742188) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one.

Molecular Properties

Compound Name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
PubChem CID100742188
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-3-8-21-20(15-17)22(27)9-10-26(21)16-23(28)25-13-11-24(12-14-25)18-4-6-19(29-2)7-5-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeySGNFTWUVERVDHD-UHFFFAOYSA-N
XLogP2.67
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100742023
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
2-(2,4-dimethylphenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2664059
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 50839654
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372
1-(2,5-dimethylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 18104419
6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5015961
6-chloro-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735726

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one?
The IUPAC name of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one (CID 100742188) is 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one.
What is the SMILES notation for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one?
The canonical SMILES for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one is COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4cc(C)ccc43)CC2)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one?
The InChIKey is SGNFTWUVERVDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-3-8-21-20(15-17)22(27)9-10-26(21)16-23(28)25-13-11-24(12-14-25)18-4-6-19(29-2)7-5-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one?
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one has a molecular weight of 391.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one is sourced from PubChem (CID 100742188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).