6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

C24H29N3O2 — CID 131931591

IUPAC6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCN(CCOc4ccccc4)CC3)cc2c1
InChIInChI=1S/C24H29N3O2/c1-18-14-19(2)23-20(15-18)16-21(24(28)25-23)17-27-10-8-26(9-11-27)12-13-29-22-6-4-3-5-7-22/h3-7,14-16H,8-13,17H2,1-2H3,(H,25,28)
InChIKeyFJSNDFWCKAOKIO-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.34
Rot. Bonds6

About 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 131931591) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID131931591
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCN(CCOc4ccccc4)CC3)cc2c1
InChIInChI=1S/C24H29N3O2/c1-18-14-19(2)23-20(15-18)16-21(24(28)25-23)17-27-10-8-26(9-11-27)12-13-29-22-6-4-3-5-7-22/h3-7,14-16H,8-13,17H2,1-2H3,(H,25,28)
InChIKeyFJSNDFWCKAOKIO-UHFFFAOYSA-N
XLogP3.34
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363086
3-[[(4S)-4-(dimethylamino)azepan-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 95711780
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 56717632
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 56702172
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 99931813
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 131931591) is 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CN3CCN(CCOc4ccccc4)CC3)cc2c1.
What is the InChIKey of 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is FJSNDFWCKAOKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-14-19(2)23-20(15-18)16-21(24(28)25-23)17-27-10-8-26(9-11-27)12-13-29-22-6-4-3-5-7-22/h3-7,14-16H,8-13,17H2,1-2H3,(H,25,28).
What are the key properties of 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 131931591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).