12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

C120H109Cl6N17O17S6 — CID 158967745

IUPAC12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCN1CCN(c2ccc3c(c2)-c2cc(Cl)c4cccnc4c2NS3(=O)=O)CC1.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(CC(CO)CO)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(CCCN3CCOCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCCCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCOCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(OC3CCCC3)ccc21
InChIInChI=1S/C22H22ClN3O3S.C20H19ClN4O2S.C20H18ClN3O2S.C20H17ClN2O3S.C19H16ClN3O3S.C19H17ClN2O4S/c23-19-14-18-17-13-15(3-2-8-26-9-11-29-12-10-26)5-6-20(17)30(27,28)25-22(18)21-16(19)4-1-7-24-21;1-24-7-9-25(10-8-24)13-4-5-18-15(11-13)16-12-17(21)14-3-2-6-22-19(14)20(16)23-28(18,26)27;21-17-12-16-15-11-13(24-9-2-1-3-10-24)6-7-18(15)27(25,26)23-20(16)19-14(17)5-4-8-22-19;21-17-11-16-15-10-13(26-12-4-1-2-5-12)7-8-18(15)27(24,25)23-20(16)19-14(17)6-3-9-22-19;20-16-11-15-14-10-12(23-6-8-26-9-7-23)3-4-17(14)27(24,25)22-19(15)18-13(16)2-1-5-21-18;20-16-8-15-14-7-11(6-12(9-23)10-24)3-4-17(14)27(25,26)22-19(15)18-13(16)2-1-5-21-18/h1,4-7,13-14,25H,2-3,8-12H2;2-6,11-12,23H,7-10H2,1H3;4-8,11-12,23H,1-3,9-10H2;3,6-12,23H,1-2,4-5H2;1-5,10-11,22H,6-9H2;1-5,7-8,12,22-24H,6,9-10H2
InChIKeyJNKNZMRYRAUANH-UHFFFAOYSA-N
MW2466.41 g/mol
LogP23.32
Rot. Bonds13

About 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 158967745) has the molecular formula C120H109Cl6N17O17S6 and a molecular weight of 2466.41 g/mol. Its IUPAC name is 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID158967745
Molecular FormulaC120H109Cl6N17O17S6
Molecular Weight2466.41 g/mol
Exact Mass2461.46
IUPAC Name12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCN1CCN(c2ccc3c(c2)-c2cc(Cl)c4cccnc4c2NS3(=O)=O)CC1.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(CC(CO)CO)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(CCCN3CCOCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCCCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCOCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(OC3CCCC3)ccc21
InChIInChI=1S/C22H22ClN3O3S.C20H19ClN4O2S.C20H18ClN3O2S.C20H17ClN2O3S.C19H16ClN3O3S.C19H17ClN2O4S/c23-19-14-18-17-13-15(3-2-8-26-9-11-29-12-10-26)5-6-20(17)30(27,28)25-22(18)21-16(19)4-1-7-24-21;1-24-7-9-25(10-8-24)13-4-5-18-15(11-13)16-12-17(21)14-3-2-6-22-19(14)20(16)23-28(18,26)27;21-17-12-16-15-11-13(24-9-2-1-3-10-24)6-7-18(15)27(25,26)23-20(16)19-14(17)5-4-8-22-19;21-17-11-16-15-10-13(26-12-4-1-2-5-12)7-8-18(15)27(24,25)23-20(16)19-14(17)6-3-9-22-19;20-16-11-15-14-10-12(23-6-8-26-9-7-23)3-4-17(14)27(24,25)22-19(15)18-13(16)2-1-5-21-18;20-16-8-15-14-7-11(6-12(9-23)10-24)3-4-17(14)27(25,26)22-19(15)18-13(16)2-1-5-21-18/h1,4-7,13-14,25H,2-3,8-12H2;2-6,11-12,23H,7-10H2,1H3;4-8,11-12,23H,1-3,9-10H2;3,6-12,23H,1-2,4-5H2;1-5,10-11,22H,6-9H2;1-5,7-8,12,22-24H,6,9-10H2
InChIKeyJNKNZMRYRAUANH-UHFFFAOYSA-N
XLogP23.32
TPSA438.71 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.41
LogP ≤ 523.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The IUPAC name of 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 158967745) is 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.
What is the SMILES notation for 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The canonical SMILES for 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is CN1CCN(c2ccc3c(c2)-c2cc(Cl)c4cccnc4c2NS3(=O)=O)CC1.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(CC(CO)CO)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(CCCN3CCOCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCCCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCOCC3)ccc21.O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(OC3CCCC3)ccc21.
What is the InChIKey of 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is JNKNZMRYRAUANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S.C20H19ClN4O2S.C20H18ClN3O2S.C20H17ClN2O3S.C19H16ClN3O3S.C19H17ClN2O4S/c23-19-14-18-17-13-15(3-2-8-26-9-11-29-12-10-26)5-6-20(17)30(27,28)25-22(18)21-16(19)4-1-7-24-21;1-24-7-9-25(10-8-24)13-4-5-18-15(11-13)16-12-17(21)14-3-2-6-22-19(14)20(16)23-28(18,26)27;21-17-12-16-15-11-13(24-9-2-1-3-10-24)6-7-18(15)27(25,26)23-20(16)19-14(17)5-4-8-22-19;21-17-11-16-15-10-13(26-12-4-1-2-5-12)7-8-18(15)27(24,25)23-20(16)19-14(17)6-3-9-22-19;20-16-11-15-14-10-12(23-6-8-26-9-7-23)3-4-17(14)27(24,25)22-19(15)18-13(16)2-1-5-21-18;20-16-8-15-14-7-11(6-12(9-23)10-24)3-4-17(14)27(25,26)22-19(15)18-13(16)2-1-5-21-18/h1,4-7,13-14,25H,2-3,8-12H2;2-6,11-12,23H,7-10H2,1H3;4-8,11-12,23H,1-3,9-10H2;3,6-12,23H,1-2,4-5H2;1-5,10-11,22H,6-9H2;1-5,7-8,12,22-24H,6,9-10H2.
What are the key properties of 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 2466.41 g/mol, XLogP of 23.32, 13 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-9-cyclopentyloxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(12-chloro-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)methyl]propane-1,3-diol;12-chloro-9-(4-methylpiperazin-1-yl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-(3-morpholin-4-ylpropyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-morpholin-4-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 158967745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).