1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide

C52H42F3N7O9S3 — CID 158528441

IUPAC1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide
SMILESCOc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1ccccc1
InChIInChI=1S/C19H19N3O3S.C17H11F3N2O3S.C16H12N2O3S/c23-26(24,15-5-2-1-3-6-15)21-17-8-9-18(22-11-13-25-14-12-22)16-7-4-10-20-19(16)17;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15/h1-10,21H,11-14H2;2-8,22H,1H3;2-9,18H,1H3
InChIKeyHNBLAPLGBPNLSM-UHFFFAOYSA-N
MW1062.14 g/mol
LogP9.94
Rot. Bonds6

About 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide

1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide (PubChem CID 158528441) has the molecular formula C52H42F3N7O9S3 and a molecular weight of 1062.14 g/mol. Its IUPAC name is 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide
PubChem CID158528441
Molecular FormulaC52H42F3N7O9S3
Molecular Weight1062.14 g/mol
Exact Mass1061.22
IUPAC Name1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide
SMILESCOc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1ccccc1
InChIInChI=1S/C19H19N3O3S.C17H11F3N2O3S.C16H12N2O3S/c23-26(24,15-5-2-1-3-6-15)21-17-8-9-18(22-11-13-25-14-12-22)16-7-4-10-20-19(16)17;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15/h1-10,21H,11-14H2;2-8,22H,1H3;2-9,18H,1H3
InChIKeyHNBLAPLGBPNLSM-UHFFFAOYSA-N
XLogP9.94
TPSA208.11 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001062.14
LogP ≤ 59.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

12-Methoxy-9-trifluoromethyl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 68183336
2-[(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)oxy]-N,N-dimethylethanamine
CID 68183284
8,9-dimethyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;11-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 158715901
1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)ethanol;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanone;1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one;1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 160608208
8,9-dimethyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;methane;9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;5-methylquinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 161082210
3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;11-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;12-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
CID 162214867
8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine
CID 160801435
12-bromo-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;2-[(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)oxy]-N,N-dimethylethanamine;2-(2-methylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 158682955

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide (CID 158528441) is 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide is COc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2.COc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3.O=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1ccccc1.
What is the InChIKey of 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide?
The InChIKey is HNBLAPLGBPNLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S.C17H11F3N2O3S.C16H12N2O3S/c23-26(24,15-5-2-1-3-6-15)21-17-8-9-18(22-11-13-25-14-12-22)16-7-4-10-20-19(16)17;1-25-13-8-12-11-7-9(17(18,19)20)4-5-14(11)26(23,24)22-16(12)15-10(13)3-2-6-21-15;1-21-13-8-9-17-15-12(13)7-6-11-10-4-2-3-5-14(10)22(19,20)18-16(11)15/h1-10,21H,11-14H2;2-8,22H,1H3;2-9,18H,1H3.
What are the key properties of 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide?
1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide has a molecular weight of 1062.14 g/mol, XLogP of 9.94, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 158528441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).