6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

C22H25N3O3 — CID 24650648

IUPAC6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C22H25N3O3/c26-21-9-6-18-14-19(7-8-20(18)23-21)28-16-22(27)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-5,7-8,14H,6,9-13,15-16H2,(H,23,26)
InChIKeyJWDNNJFJMBXTHQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.29
Rot. Bonds5

About 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 24650648) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID24650648
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C22H25N3O3/c26-21-9-6-18-14-19(7-8-20(18)23-21)28-16-22(27)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-5,7-8,14H,6,9-13,15-16H2,(H,23,26)
InChIKeyJWDNNJFJMBXTHQ-UHFFFAOYSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652390
7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880259
6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55531436
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylphenoxy)ethanone
CID 17174686
6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652382
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488
6-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55673381
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55571831
6-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55595558

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 24650648) is 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc2N1.
What is the InChIKey of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JWDNNJFJMBXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21-9-6-18-14-19(7-8-20(18)23-21)28-16-22(27)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-5,7-8,14H,6,9-13,15-16H2,(H,23,26).
What are the key properties of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 24650648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).