6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

C16H23N3O3S — CID 8518042

IUPAC6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H23N3O3S/c1-2-7-18-8-10-19(11-9-18)23(21,22)14-4-5-15-13(12-14)3-6-16(20)17-15/h4-5,12H,2-3,6-11H2,1H3,(H,17,20)
InChIKeyFGCICVIPJLPMSP-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.29
Rot. Bonds4

About 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 8518042) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID8518042
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C16H23N3O3S/c1-2-7-18-8-10-19(11-9-18)23(21,22)14-4-5-15-13(12-14)3-6-16(20)17-15/h4-5,12H,2-3,6-11H2,1H3,(H,17,20)
InChIKeyFGCICVIPJLPMSP-UHFFFAOYSA-N
XLogP1.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 8518042) is 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is CCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FGCICVIPJLPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-2-7-18-8-10-19(11-9-18)23(21,22)14-4-5-15-13(12-14)3-6-16(20)17-15/h4-5,12H,2-3,6-11H2,1H3,(H,17,20).
What are the key properties of 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 337.45 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 8518042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).