1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one

C20H30N2O3S — CID 110414609

IUPAC1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one
SMILESCC1Cc2ccccc2N(C(=O)CCCCS(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C20H30N2O3S/c1-17-15-18-9-3-4-10-19(18)22(16-17)20(23)11-5-8-14-26(24,25)21-12-6-2-7-13-21/h3-4,9-10,17H,2,5-8,11-16H2,1H3
InChIKeyZMOPNXJTFNVSRQ-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.20
Rot. Bonds6

About 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one (PubChem CID 110414609) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one
PubChem CID110414609
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one
SMILESCC1Cc2ccccc2N(C(=O)CCCCS(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C20H30N2O3S/c1-17-15-18-9-3-4-10-19(18)22(16-17)20(23)11-5-8-14-26(24,25)21-12-6-2-7-13-21/h3-4,9-10,17H,2,5-8,11-16H2,1H3
InChIKeyZMOPNXJTFNVSRQ-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 122142630
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 81079948
5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 110304785
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide
CID 110299822

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one?
The IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one (CID 110414609) is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one.
What is the SMILES notation for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one?
The canonical SMILES for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one is CC1Cc2ccccc2N(C(=O)CCCCS(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one?
The InChIKey is ZMOPNXJTFNVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-17-15-18-9-3-4-10-19(18)22(16-17)20(23)11-5-8-14-26(24,25)21-12-6-2-7-13-21/h3-4,9-10,17H,2,5-8,11-16H2,1H3.
What are the key properties of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one?
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one has a molecular weight of 378.54 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one is sourced from PubChem (CID 110414609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).