6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one

C104H86F5N13O6S5 — CID 159841671

IUPAC6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one
SMILESCCN1CCN(c2nc3ccccc3c3c(=O)c4cc(F)ccc4sc23)CC1.CN1CCN(c2nc3ccccc3c3c(=O)c4cc(F)ccc4sc23)CC1.O=c1c2cc(F)ccc2sc2c(N3CCCCC3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(N3CCNCC3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(N3CCOCC3)nc3ccccc3c12
InChIInChI=1S/C22H20FN3OS.C21H18FN3OS.C21H17FN2OS.C20H16FN3OS.C20H15FN2O2S/c1-2-25-9-11-26(12-10-25)22-21-19(15-5-3-4-6-17(15)24-22)20(27)16-13-14(23)7-8-18(16)28-21;1-24-8-10-25(11-9-24)21-20-18(14-4-2-3-5-16(14)23-21)19(26)15-12-13(22)6-7-17(15)27-20;22-13-8-9-17-15(12-13)19(25)18-14-6-2-3-7-16(14)23-21(20(18)26-17)24-10-4-1-5-11-24;21-12-5-6-16-14(11-12)18(25)17-13-3-1-2-4-15(13)23-20(19(17)26-16)24-9-7-22-8-10-24;21-12-5-6-16-14(11-12)18(24)17-13-3-1-2-4-15(13)22-20(19(17)26-16)23-7-9-25-10-8-23/h3-8,13H,2,9-12H2,1H3;2-7,12H,8-11H2,1H3;2-3,6-9,12H,1,4-5,10-11H2;1-6,11,22H,7-10H2;1-6,11H,7-10H2
InChIKeyNOTHGFOUNZDVHC-UHFFFAOYSA-N
MW1869.24 g/mol
LogP20.64
Rot. Bonds6

About 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one

6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one (PubChem CID 159841671) has the molecular formula C104H86F5N13O6S5 and a molecular weight of 1869.24 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one
PubChem CID159841671
Molecular FormulaC104H86F5N13O6S5
Molecular Weight1869.24 g/mol
Exact Mass1867.53
IUPAC Name6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one
SMILESCCN1CCN(c2nc3ccccc3c3c(=O)c4cc(F)ccc4sc23)CC1.CN1CCN(c2nc3ccccc3c3c(=O)c4cc(F)ccc4sc23)CC1.O=c1c2cc(F)ccc2sc2c(N3CCCCC3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(N3CCNCC3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(N3CCOCC3)nc3ccccc3c12
InChIInChI=1S/C22H20FN3OS.C21H18FN3OS.C21H17FN2OS.C20H16FN3OS.C20H15FN2O2S/c1-2-25-9-11-26(12-10-25)22-21-19(15-5-3-4-6-17(15)24-22)20(27)16-13-14(23)7-8-18(16)28-21;1-24-8-10-25(11-9-24)21-20-18(14-4-2-3-5-16(14)23-21)19(26)15-12-13(22)6-7-17(15)27-20;22-13-8-9-17-15(12-13)19(25)18-14-6-2-3-7-16(14)23-21(20(18)26-17)24-10-4-1-5-11-24;21-12-5-6-16-14(11-12)18(25)17-13-3-1-2-4-15(13)23-20(19(17)26-16)24-9-7-22-8-10-24;21-12-5-6-16-14(11-12)18(24)17-13-3-1-2-4-15(13)22-20(19(17)26-16)23-7-9-25-10-8-23/h3-8,13H,2,9-12H2,1H3;2-7,12H,8-11H2,1H3;2-3,6-9,12H,1,4-5,10-11H2;1-6,11,22H,7-10H2;1-6,11H,7-10H2
InChIKeyNOTHGFOUNZDVHC-UHFFFAOYSA-N
XLogP20.64
TPSA193.74 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.24
LogP ≤ 520.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one (CID 159841671) is 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one is CCN1CCN(c2nc3ccccc3c3c(=O)c4cc(F)ccc4sc23)CC1.CN1CCN(c2nc3ccccc3c3c(=O)c4cc(F)ccc4sc23)CC1.O=c1c2cc(F)ccc2sc2c(N3CCCCC3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(N3CCNCC3)nc3ccccc3c12.O=c1c2cc(F)ccc2sc2c(N3CCOCC3)nc3ccccc3c12.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The InChIKey is NOTHGFOUNZDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS.C21H18FN3OS.C21H17FN2OS.C20H16FN3OS.C20H15FN2O2S/c1-2-25-9-11-26(12-10-25)22-21-19(15-5-3-4-6-17(15)24-22)20(27)16-13-14(23)7-8-18(16)28-21;1-24-8-10-25(11-9-24)21-20-18(14-4-2-3-5-16(14)23-21)19(26)15-12-13(22)6-7-17(15)27-20;22-13-8-9-17-15(12-13)19(25)18-14-6-2-3-7-16(14)23-21(20(18)26-17)24-10-4-1-5-11-24;21-12-5-6-16-14(11-12)18(25)17-13-3-1-2-4-15(13)23-20(19(17)26-16)24-9-7-22-8-10-24;21-12-5-6-16-14(11-12)18(24)17-13-3-1-2-4-15(13)22-20(19(17)26-16)23-7-9-25-10-8-23/h3-8,13H,2,9-12H2,1H3;2-7,12H,8-11H2,1H3;2-3,6-9,12H,1,4-5,10-11H2;1-6,11,22H,7-10H2;1-6,11H,7-10H2.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one?
6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one has a molecular weight of 1869.24 g/mol, XLogP of 20.64, 6 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 159841671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).