7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

C113H89N15O8S4 — CID 159889586

IUPAC7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccccc2O)c2ccc3cccnc3c2O)c1.Oc1c(C(Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2cccc(OCc3ccccc3)c2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2ccccc2)ccc2cccnc12.Oc1ccccc1C(Nc1nc2ccccc2s1)c1ccc2cccnc2c1O
InChIInChI=1S/C26H21N3O2S.C23H17N3O2S.C23H17N3OS.C22H19N3O2.C19H15N3OS/c30-25-22(12-11-19-9-5-13-27-24(19)25)23(29-26-28-14-15-32-26)20-8-4-10-21(16-20)31-17-18-6-2-1-3-7-18;27-18-9-3-1-7-15(18)21(26-23-25-17-8-2-4-10-19(17)29-23)16-12-11-14-6-5-13-24-20(14)22(16)28;27-22-17(13-12-16-9-6-14-24-21(16)22)20(15-7-2-1-3-8-15)26-23-25-18-10-4-5-11-19(18)28-23;1-14-10-12-23-19(13-14)25-21(16-6-2-3-7-18(16)26)17-9-8-15-5-4-11-24-20(15)22(17)27;23-18-15(9-8-14-7-4-10-20-17(14)18)16(13-5-2-1-3-6-13)22-19-21-11-12-24-19/h1-16,23,30H,17H2,(H,28,29);1-13,21,27-28H,(H,25,26);1-14,20,27H,(H,25,26);2-13,21,26-27H,1H3,(H,23,25);1-12,16,23H,(H,21,22)
InChIKeyNUOPPMFWYXTOFC-UHFFFAOYSA-N
MW1913.32 g/mol
LogP26.54
Rot. Bonds23

About 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (PubChem CID 159889586) has the molecular formula C113H89N15O8S4 and a molecular weight of 1913.32 g/mol. Its IUPAC name is 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
PubChem CID159889586
Molecular FormulaC113H89N15O8S4
Molecular Weight1913.32 g/mol
Exact Mass1911.59
IUPAC Name7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccccc2O)c2ccc3cccnc3c2O)c1.Oc1c(C(Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2cccc(OCc3ccccc3)c2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2ccccc2)ccc2cccnc12.Oc1ccccc1C(Nc1nc2ccccc2s1)c1ccc2cccnc2c1O
InChIInChI=1S/C26H21N3O2S.C23H17N3O2S.C23H17N3OS.C22H19N3O2.C19H15N3OS/c30-25-22(12-11-19-9-5-13-27-24(19)25)23(29-26-28-14-15-32-26)20-8-4-10-21(16-20)31-17-18-6-2-1-3-7-18;27-18-9-3-1-7-15(18)21(26-23-25-17-8-2-4-10-19(17)29-23)16-12-11-14-6-5-13-24-20(14)22(16)28;27-22-17(13-12-16-9-6-14-24-21(16)22)20(15-7-2-1-3-8-15)26-23-25-18-10-4-5-11-19(18)28-23;1-14-10-12-23-19(13-14)25-21(16-6-2-3-7-18(16)26)17-9-8-15-5-4-11-24-20(15)22(17)27;23-18-15(9-8-14-7-4-10-20-17(14)18)16(13-5-2-1-3-6-13)22-19-21-11-12-24-19/h1-16,23,30H,17H2,(H,28,29);1-13,21,27-28H,(H,25,26);1-14,20,27H,(H,25,26);2-13,21,26-27H,1H3,(H,23,25);1-12,16,23H,(H,21,22)
InChIKeyNUOPPMFWYXTOFC-UHFFFAOYSA-N
XLogP26.54
TPSA339.89 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.32
LogP ≤ 526.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (CID 159889586) is 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is Cc1ccnc(NC(c2ccccc2O)c2ccc3cccnc3c2O)c1.Oc1c(C(Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2cccc(OCc3ccccc3)c2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2ccccc2)ccc2cccnc12.Oc1ccccc1C(Nc1nc2ccccc2s1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is NUOPPMFWYXTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S.C23H17N3O2S.C23H17N3OS.C22H19N3O2.C19H15N3OS/c30-25-22(12-11-19-9-5-13-27-24(19)25)23(29-26-28-14-15-32-26)20-8-4-10-21(16-20)31-17-18-6-2-1-3-7-18;27-18-9-3-1-7-15(18)21(26-23-25-17-8-2-4-10-19(17)29-23)16-12-11-14-6-5-13-24-20(14)22(16)28;27-22-17(13-12-16-9-6-14-24-21(16)22)20(15-7-2-1-3-8-15)26-23-25-18-10-4-5-11-19(18)28-23;1-14-10-12-23-19(13-14)25-21(16-6-2-3-7-18(16)26)17-9-8-15-5-4-11-24-20(15)22(17)27;23-18-15(9-8-14-7-4-10-20-17(14)18)16(13-5-2-1-3-6-13)22-19-21-11-12-24-19/h1-16,23,30H,17H2,(H,28,29);1-13,21,27-28H,(H,25,26);1-14,20,27H,(H,25,26);2-13,21,26-27H,1H3,(H,23,25);1-12,16,23H,(H,21,22).
What are the key properties of 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 1913.32 g/mol, XLogP of 26.54, 23 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-benzothiazol-2-ylamino)-(2-hydroxyphenyl)methyl]quinolin-8-ol;7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[(3-phenylmethoxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 159889586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).