6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

C91H98N14O4S4 — CID 158292242

IUPAC6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CC(=O)c2sc(N3CCCc4ccc(-c5ccccc5)cc43)nc2C1.CC1(C)CNC(=O)c2sc(N3CCCC[C@@H]3Cc3c[nH]c4ccccc34)nc2C1.CC1(C)Cc2nc(N3CCCc4ccc(-c5ccccc5)cc43)sc2C(=O)N1.Cn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCC3)cn1
InChIInChI=1S/C24H24N2OS.C23H28N4OS.C23H23N3OS.C21H23N5OS/c1-24(2)14-19-22(21(27)15-24)28-23(25-19)26-12-6-9-17-10-11-18(13-20(17)26)16-7-4-3-5-8-16;1-23(2)12-19-20(21(28)25-14-23)29-22(26-19)27-10-6-5-7-16(27)11-15-13-24-18-9-4-3-8-17(15)18;1-23(2)14-18-20(21(27)25-23)28-22(24-18)26-12-6-9-16-10-11-17(13-19(16)26)15-7-4-3-5-8-15;1-21(2)10-16-18(19(27)24-21)28-20(23-16)26-8-4-5-13-6-7-14(9-17(13)26)15-11-22-25(3)12-15/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3;3-4,8-9,13,16,24H,5-7,10-12,14H2,1-2H3,(H,25,28);3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,27);6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,24,27)/t;16-;;/m.1../s1
InChIKeyGLMNHWQRRPRVCY-WMVBMBIMSA-N
MW1580.15 g/mol
LogP19.24
Rot. Bonds9

About 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 158292242) has the molecular formula C91H98N14O4S4 and a molecular weight of 1580.15 g/mol. Its IUPAC name is 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID158292242
Molecular FormulaC91H98N14O4S4
Molecular Weight1580.15 g/mol
Exact Mass1578.68
IUPAC Name6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CC(=O)c2sc(N3CCCc4ccc(-c5ccccc5)cc43)nc2C1.CC1(C)CNC(=O)c2sc(N3CCCC[C@@H]3Cc3c[nH]c4ccccc34)nc2C1.CC1(C)Cc2nc(N3CCCc4ccc(-c5ccccc5)cc43)sc2C(=O)N1.Cn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCC3)cn1
InChIInChI=1S/C24H24N2OS.C23H28N4OS.C23H23N3OS.C21H23N5OS/c1-24(2)14-19-22(21(27)15-24)28-23(25-19)26-12-6-9-17-10-11-18(13-20(17)26)16-7-4-3-5-8-16;1-23(2)12-19-20(21(28)25-14-23)29-22(26-19)27-10-6-5-7-16(27)11-15-13-24-18-9-4-3-8-17(15)18;1-23(2)14-18-20(21(27)25-23)28-22(24-18)26-12-6-9-16-10-11-17(13-19(16)26)15-7-4-3-5-8-15;1-21(2)10-16-18(19(27)24-21)28-20(23-16)26-8-4-5-13-6-7-14(9-17(13)26)15-11-22-25(3)12-15/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3;3-4,8-9,13,16,24H,5-7,10-12,14H2,1-2H3,(H,25,28);3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,27);6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,24,27)/t;16-;;/m.1../s1
InChIKeyGLMNHWQRRPRVCY-WMVBMBIMSA-N
XLogP19.24
TPSA202.50 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.15
LogP ≤ 519.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (CID 158292242) is 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is CC1(C)CC(=O)c2sc(N3CCCc4ccc(-c5ccccc5)cc43)nc2C1.CC1(C)CNC(=O)c2sc(N3CCCC[C@@H]3Cc3c[nH]c4ccccc34)nc2C1.CC1(C)Cc2nc(N3CCCc4ccc(-c5ccccc5)cc43)sc2C(=O)N1.Cn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCC3)cn1.
What is the InChIKey of 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is GLMNHWQRRPRVCY-WMVBMBIMSA-N. The full InChI is InChI=1S/C24H24N2OS.C23H28N4OS.C23H23N3OS.C21H23N5OS/c1-24(2)14-19-22(21(27)15-24)28-23(25-19)26-12-6-9-17-10-11-18(13-20(17)26)16-7-4-3-5-8-16;1-23(2)12-19-20(21(28)25-14-23)29-22(26-19)27-10-6-5-7-16(27)11-15-13-24-18-9-4-3-8-17(15)18;1-23(2)14-18-20(21(27)25-23)28-22(24-18)26-12-6-9-16-10-11-17(13-19(16)26)15-7-4-3-5-8-15;1-21(2)10-16-18(19(27)24-21)28-20(23-16)26-8-4-5-13-6-7-14(9-17(13)26)15-11-22-25(3)12-15/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3;3-4,8-9,13,16,24H,5-7,10-12,14H2,1-2H3,(H,25,28);3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,27);6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,24,27)/t;16-;;/m.1../s1.
What are the key properties of 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 1580.15 g/mol, XLogP of 19.24, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5,5-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one;6,6-dimethyl-2-(7-phenyl-3,4-dihydro-2H-quinolin-1-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[(2R)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 158292242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).