1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

C17H25N3O2S — CID 58724133

IUPAC1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1(N2CCN(S(=O)(=O)N3CCCc4ccccc43)CC2)CC1
InChIInChI=1S/C17H25N3O2S/c1-17(8-9-17)18-11-13-19(14-12-18)23(21,22)20-10-4-6-15-5-2-3-7-16(15)20/h2-3,5,7H,4,6,8-14H2,1H3
InChIKeyBJDVJPJBZJMMLW-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.85
Rot. Bonds3

About 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 58724133) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID58724133
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1(N2CCN(S(=O)(=O)N3CCCc4ccccc43)CC2)CC1
InChIInChI=1S/C17H25N3O2S/c1-17(8-9-17)18-11-13-19(14-12-18)23(21,22)20-10-4-6-15-5-2-3-7-16(15)20/h2-3,5,7H,4,6,8-14H2,1H3
InChIKeyBJDVJPJBZJMMLW-UHFFFAOYSA-N
XLogP1.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-(azetidin-3-ylmethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 115049583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (CID 58724133) is 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is CC1(N2CCN(S(=O)(=O)N3CCCc4ccccc43)CC2)CC1.
What is the InChIKey of 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is BJDVJPJBZJMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-17(8-9-17)18-11-13-19(14-12-18)23(21,22)20-10-4-6-15-5-2-3-7-16(15)20/h2-3,5,7H,4,6,8-14H2,1H3.
What are the key properties of 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 335.47 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 58724133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).