2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone

C18H27N3O — CID 82263629

IUPAC2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone
SMILESCC(C)N1CCCc2ccc(C(=O)CN3CCNCC3)cc21
InChIInChI=1S/C18H27N3O/c1-14(2)21-9-3-4-15-5-6-16(12-17(15)21)18(22)13-20-10-7-19-8-11-20/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyISFPNOKWLXMKFR-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.94
Rot. Bonds4

About 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone

2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone (PubChem CID 82263629) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone
PubChem CID82263629
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone
SMILESCC(C)N1CCCc2ccc(C(=O)CN3CCNCC3)cc21
InChIInChI=1S/C18H27N3O/c1-14(2)21-9-3-4-15-5-6-16(12-17(15)21)18(22)13-20-10-7-19-8-11-20/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3
InChIKeyISFPNOKWLXMKFR-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone with MolForge

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Related Compounds

2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one
CID 82263492
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone
CID 82265834
(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
2-(1,4-diazepan-1-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 116565581
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanamine
CID 82263620

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
The IUPAC name of 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone (CID 82263629) is 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone.
What is the SMILES notation for 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
The canonical SMILES for 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone is CC(C)N1CCCc2ccc(C(=O)CN3CCNCC3)cc21.
What is the InChIKey of 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
The InChIKey is ISFPNOKWLXMKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)21-9-3-4-15-5-6-16(12-17(15)21)18(22)13-20-10-7-19-8-11-20/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3.
What are the key properties of 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone is sourced from PubChem (CID 82263629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).