N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide

C19H30N4O3S — CID 75462883

IUPACN-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H30N4O3S/c1-27(25,26)20-9-5-10-21-12-14-22(15-13-21)16-19(24)23-11-4-7-17-6-2-3-8-18(17)23/h2-3,6,8,20H,4-5,7,9-16H2,1H3
InChIKeyIXBMUVDRMCQIPA-UHFFFAOYSA-N
MW394.54 g/mol
LogP0.52
Rot. Bonds7

About N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide

N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide (PubChem CID 75462883) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide
PubChem CID75462883
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC NameN-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H30N4O3S/c1-27(25,26)20-9-5-10-21-12-14-22(15-13-21)16-19(24)23-11-4-7-17-6-2-3-8-18(17)23/h2-3,6,8,20H,4-5,7,9-16H2,1H3
InChIKeyIXBMUVDRMCQIPA-UHFFFAOYSA-N
XLogP0.52
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 111496396
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 1443725
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 119883298
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773132
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119928044
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide (CID 75462883) is N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCN(CC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide?
The InChIKey is IXBMUVDRMCQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-27(25,26)20-9-5-10-21-12-14-22(15-13-21)16-19(24)23-11-4-7-17-6-2-3-8-18(17)23/h2-3,6,8,20H,4-5,7,9-16H2,1H3.
What are the key properties of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide?
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 75462883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).