2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C23H27N3O — CID 142698524

IUPAC2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc2c(c1)N(CC(=O)N1CCN(C)CC1)CC(c1ccccc1)=C2
InChIInChI=1S/C23H27N3O/c1-18-8-9-20-15-21(19-6-4-3-5-7-19)16-26(22(20)14-18)17-23(27)25-12-10-24(2)11-13-25/h3-9,14-15H,10-13,16-17H2,1-2H3
InChIKeyOYFBAQDCOUUSOI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.13
Rot. Bonds3

About 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 142698524) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID142698524
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc2c(c1)N(CC(=O)N1CCN(C)CC1)CC(c1ccccc1)=C2
InChIInChI=1S/C23H27N3O/c1-18-8-9-20-15-21(19-6-4-3-5-7-19)16-26(22(20)14-18)17-23(27)25-12-10-24(2)11-13-25/h3-9,14-15H,10-13,16-17H2,1-2H3
InChIKeyOYFBAQDCOUUSOI-UHFFFAOYSA-N
XLogP3.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-1,4-benzoxazin-2-one
CID 39068899
1-[(2-methylphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 122174898
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone
CID 4206419
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-3H-1,4-benzoxazin-2-one
CID 39068926
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperazin-1-yl)propan-1-one;hydrofluoride
CID 159392979
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-3H-1,4-benzoxazin-2-one
CID 39068783
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
6-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,4-benzoxazin-2-one
CID 39068797
7-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-3H-1,4-benzoxazin-2-one
CID 39069249

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 142698524) is 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is Cc1ccc2c(c1)N(CC(=O)N1CCN(C)CC1)CC(c1ccccc1)=C2.
What is the InChIKey of 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is OYFBAQDCOUUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-8-9-20-15-21(19-6-4-3-5-7-19)16-26(22(20)14-18)17-23(27)25-12-10-24(2)11-13-25/h3-9,14-15H,10-13,16-17H2,1-2H3.
What are the key properties of 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 361.49 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3-phenyl-2H-quinolin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 142698524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).