2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one

C18H27N3O — CID 82263492

IUPAC2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C18H27N3O/c1-14(13-21-10-7-19-8-11-21)18(22)16-6-5-15-4-3-9-20(2)17(15)12-16/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyMPXDNLUEJYGHNT-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one

2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82263492) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID82263492
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C18H27N3O/c1-14(13-21-10-7-19-8-11-21)18(22)16-6-5-15-4-3-9-20(2)17(15)12-16/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyMPXDNLUEJYGHNT-UHFFFAOYSA-N
XLogP1.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one with MolForge

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Related Compounds

2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 82263601
2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone
CID 82263629
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-nitropropan-1-one
CID 151369049
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264142
1-methyl-6-(2-methyl-3-piperidin-1-ylpropanoyl)-3,4-dihydroquinolin-2-one
CID 70580786
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
2-methyl-3-piperazin-1-yl-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-ol
CID 82263571
1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264911

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one (CID 82263492) is 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one is CC(CN1CCNCC1)C(=O)c1ccc2c(c1)N(C)CCC2.
What is the InChIKey of 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is MPXDNLUEJYGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(13-21-10-7-19-8-11-21)18(22)16-6-5-15-4-3-9-20(2)17(15)12-16/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3.
What are the key properties of 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one?
2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 301.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82263492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).