3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

C17H25N3O — CID 93191629

IUPAC3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCN1CCN(CCC(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H25N3O/c1-19-9-11-20(12-10-19)8-6-17(21)15-4-5-16-14(13-15)3-2-7-18-16/h4-5,13,18H,2-3,6-12H2,1H3
InChIKeyRPQRWRKOGIJBLW-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.86
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (PubChem CID 93191629) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
PubChem CID93191629
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCN1CCN(CCC(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H25N3O/c1-19-9-11-20(12-10-19)8-6-17(21)15-4-5-16-14(13-15)3-2-7-18-16/h4-5,13,18H,2-3,6-12H2,1H3
InChIKeyRPQRWRKOGIJBLW-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 103023537
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501
2-(2-morpholin-4-ylethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257745
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-methyl-5-[3-(4-methylpiperazin-1-yl)propanoyl]benzoic acid
CID 82052169
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (CID 93191629) is 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is CN1CCN(CCC(=O)c2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The InChIKey is RPQRWRKOGIJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-9-11-20(12-10-19)8-6-17(21)15-4-5-16-14(13-15)3-2-7-18-16/h4-5,13,18H,2-3,6-12H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is sourced from PubChem (CID 93191629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).