4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one

C16H23N3O3S — CID 25104840

IUPAC4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CCN1
InChIInChI=1S/C16H23N3O3S/c1-11-10-19(7-6-17-11)23(21,22)12-4-5-14-13(8-12)16(2,3)9-15(20)18-14/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyFXCWLPGLDPZDCW-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.29
Rot. Bonds2

About 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one

4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one (PubChem CID 25104840) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one
PubChem CID25104840
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CCN1
InChIInChI=1S/C16H23N3O3S/c1-11-10-19(7-6-17-11)23(21,22)12-4-5-14-13(8-12)16(2,3)9-15(20)18-14/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyFXCWLPGLDPZDCW-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one (CID 25104840) is 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one is CC1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CCN1.
What is the InChIKey of 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one?
The InChIKey is FXCWLPGLDPZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11-10-19(7-6-17-11)23(21,22)12-4-5-14-13(8-12)16(2,3)9-15(20)18-14/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one?
4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one has a molecular weight of 337.45 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 25104840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).