7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C17H20FN5O3S — CID 120894724

IUPAC7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H20FN5O3S/c1-22-6-5-20-17(22)14-10-19-4-7-23(14)27(25,26)15-8-11-2-3-16(24)21-13(11)9-12(15)18/h5-6,8-9,14,19H,2-4,7,10H2,1H3,(H,21,24)
InChIKeyUDHPKHADYNFJMI-UHFFFAOYSA-N
MW393.44 g/mol
LogP0.78
Rot. Bonds3

About 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 120894724) has the molecular formula C17H20FN5O3S and a molecular weight of 393.44 g/mol. Its IUPAC name is 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID120894724
Molecular FormulaC17H20FN5O3S
Molecular Weight393.44 g/mol
Exact Mass393.13
IUPAC Name7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H20FN5O3S/c1-22-6-5-20-17(22)14-10-19-4-7-23(14)27(25,26)15-8-11-2-3-16(24)21-13(11)9-12(15)18/h5-6,8-9,14,19H,2-4,7,10H2,1H3,(H,21,24)
InChIKeyUDHPKHADYNFJMI-UHFFFAOYSA-N
XLogP0.78
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 120894724) is 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is Cn1ccnc1C1CNCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UDHPKHADYNFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3S/c1-22-6-5-20-17(22)14-10-19-4-7-23(14)27(25,26)15-8-11-2-3-16(24)21-13(11)9-12(15)18/h5-6,8-9,14,19H,2-4,7,10H2,1H3,(H,21,24).
What are the key properties of 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 393.44 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 120894724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).