1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

C22H25N3O3 — CID 22548627

IUPAC1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cccc(N2CCN(C(=O)CN3C(=O)CCc4ccccc43)CC2)c1
InChIInChI=1S/C22H25N3O3/c1-28-19-7-4-6-18(15-19)23-11-13-24(14-12-23)22(27)16-25-20-8-3-2-5-17(20)9-10-21(25)26/h2-8,15H,9-14,16H2,1H3
InChIKeyPZPUEYHMPYUFIV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one (PubChem CID 22548627) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
PubChem CID22548627
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cccc(N2CCN(C(=O)CN3C(=O)CCc4ccccc43)CC2)c1
InChIInChI=1S/C22H25N3O3/c1-28-19-7-4-6-18(15-19)23-11-13-24(14-12-23)22(27)16-25-20-8-3-2-5-17(20)9-10-21(25)26/h2-8,15H,9-14,16H2,1H3
InChIKeyPZPUEYHMPYUFIV-UHFFFAOYSA-N
XLogP2.32
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9273589
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 52998609
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
CID 10248285
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 4692271
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 9272079
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one (CID 22548627) is 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one is COc1cccc(N2CCN(C(=O)CN3C(=O)CCc4ccccc43)CC2)c1.
What is the InChIKey of 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is PZPUEYHMPYUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-19-7-4-6-18(15-19)23-11-13-24(14-12-23)22(27)16-25-20-8-3-2-5-17(20)9-10-21(25)26/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 22548627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).