4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide

C91H80N22O8S4 — CID 158671520

IUPAC4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide
SMILESCc1ccc2ncc(-c3cnn4c3nc(C3CCS(=O)(=O)CC3)c3cc[nH]c34)cc2c1.O=S1(=O)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1.O=S1(=O)CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c3[nH]ncc23)CC1.O=S1(=O)CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c3[nH]ccc23)CC1
InChIInChI=1S/C24H21N5O2S.C23H21N5O2S.C22H19N7O2S.C22H19N5O2S/c30-32(31)12-9-17(10-13-32)22-19-8-11-25-23(19)29-24(28-22)20(15-27-29)18-6-7-21(26-14-18)16-4-2-1-3-5-16;1-14-2-3-20-16(10-14)11-17(12-25-20)19-13-26-28-22-18(4-7-24-22)21(27-23(19)28)15-5-8-31(29,30)9-6-15;30-32(31)8-5-14(6-9-32)20-18-12-25-28-22(18)29-21(27-20)17(13-26-29)15-3-4-19(24-11-15)16-2-1-7-23-10-16;28-30(29)9-6-14(7-10-30)20-17-5-8-23-21(17)27-22(26-20)18(13-25-27)16-11-15-3-1-2-4-19(15)24-12-16/h1-8,11,14-15,17,25H,9-10,12-13H2;2-4,7,10-13,15,24H,5-6,8-9H2,1H3;1-4,7,10-14H,5-6,8-9H2,(H,25,28);1-5,8,11-14,23H,6-7,9-10H2
InChIKeyIDZXUXNYHALQHD-UHFFFAOYSA-N
MW1738.05 g/mol
LogP15.00
Rot. Bonds10

About 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide

4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide (PubChem CID 158671520) has the molecular formula C91H80N22O8S4 and a molecular weight of 1738.05 g/mol. Its IUPAC name is 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide
PubChem CID158671520
Molecular FormulaC91H80N22O8S4
Molecular Weight1738.05 g/mol
Exact Mass1736.54
IUPAC Name4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide
SMILESCc1ccc2ncc(-c3cnn4c3nc(C3CCS(=O)(=O)CC3)c3cc[nH]c34)cc2c1.O=S1(=O)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1.O=S1(=O)CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c3[nH]ncc23)CC1.O=S1(=O)CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c3[nH]ccc23)CC1
InChIInChI=1S/C24H21N5O2S.C23H21N5O2S.C22H19N7O2S.C22H19N5O2S/c30-32(31)12-9-17(10-13-32)22-19-8-11-25-23(19)29-24(28-22)20(15-27-29)18-6-7-21(26-14-18)16-4-2-1-3-5-16;1-14-2-3-20-16(10-14)11-17(12-25-20)19-13-26-28-22-18(4-7-24-22)21(27-23(19)28)15-5-8-31(29,30)9-6-15;30-32(31)8-5-14(6-9-32)20-18-12-25-28-22(18)29-21(27-20)17(13-26-29)15-3-4-19(24-11-15)16-2-1-7-23-10-16;28-30(29)9-6-14(7-10-30)20-17-5-8-23-21(17)27-22(26-20)18(13-25-27)16-11-15-3-1-2-4-19(15)24-12-16/h1-8,11,14-15,17,25H,9-10,12-13H2;2-4,7,10-13,15,24H,5-6,8-9H2,1H3;1-4,7,10-14H,5-6,8-9H2,(H,25,28);1-5,8,11-14,23H,6-7,9-10H2
InChIKeyIDZXUXNYHALQHD-UHFFFAOYSA-N
XLogP15.00
TPSA397.82 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.05
LogP ≤ 515.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide with MolForge

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Launch Full Analysis

Related Compounds

4-[10-(6-Fluoroquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide
CID 135998706
N-[[3-fluoro-5-[2-[5-[5-[[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137117819
4-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;3-fluoro-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-2-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-4-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine
CID 158897486
3-fluoro-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine;3-(4-piperidin-4-ylphenyl)-6-propyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 159588387
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 159859870
N-[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;N-[5-[3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 161429449
5-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(2-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-[3-(methylsulfonylmethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 161878075
5-(1,1-Dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68072220
N-[1-[1-[1-[4-[1-(1H-indazol-7-yl)ethylamino]-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]indazol-5-yl]ethyl]-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123418179
4-(5-Methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)thiane 1,1-dioxide
CID 135998693
4-(10-Quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide
CID 135998705
4-(10-Quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide
CID 135998707

Frequently Asked Questions

What is the IUPAC name of 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide?
The IUPAC name of 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide (CID 158671520) is 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide is Cc1ccc2ncc(-c3cnn4c3nc(C3CCS(=O)(=O)CC3)c3cc[nH]c34)cc2c1.O=S1(=O)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1.O=S1(=O)CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c3[nH]ncc23)CC1.O=S1(=O)CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c3[nH]ccc23)CC1.
What is the InChIKey of 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide?
The InChIKey is IDZXUXNYHALQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S.C23H21N5O2S.C22H19N7O2S.C22H19N5O2S/c30-32(31)12-9-17(10-13-32)22-19-8-11-25-23(19)29-24(28-22)20(15-27-29)18-6-7-21(26-14-18)16-4-2-1-3-5-16;1-14-2-3-20-16(10-14)11-17(12-25-20)19-13-26-28-22-18(4-7-24-22)21(27-23(19)28)15-5-8-31(29,30)9-6-15;30-32(31)8-5-14(6-9-32)20-18-12-25-28-22(18)29-21(27-20)17(13-26-29)15-3-4-19(24-11-15)16-2-1-7-23-10-16;28-30(29)9-6-14(7-10-30)20-17-5-8-23-21(17)27-22(26-20)18(13-25-27)16-11-15-3-1-2-4-19(15)24-12-16/h1-8,11,14-15,17,25H,9-10,12-13H2;2-4,7,10-13,15,24H,5-6,8-9H2,1H3;1-4,7,10-14H,5-6,8-9H2,(H,25,28);1-5,8,11-14,23H,6-7,9-10H2.
What are the key properties of 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide?
4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide has a molecular weight of 1738.05 g/mol, XLogP of 15.00, 10 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(6-methylquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(10-quinolin-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl)thiane 1,1-dioxide is sourced from PubChem (CID 158671520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).