7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

C104H85BrCl2N14O8S2 — CID 162122639

IUPAC7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc(Br)c2)c2ccc3cccnc3c2O)no1.Cc1ccnc(NC(c2ccccc2O)c2ccc3cccnc3c2O)c1.Oc1c(C(Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2ccccc2)ccc2cccnc12.Oc1c(C(c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C23H17N3OS.C22H19N3O2.C20H16BrN3O2.C20H18Cl2N2O2.C19H15N3OS/c27-22-17(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;1-12-10-17(24-26-12)23-18(14-4-2-6-15(21)11-14)16-8-7-13-5-3-9-22-19(13)20(16)25;21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25;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/h1-14,20,27H,(H,25,26);2-13,21,26-27H,1H3,(H,23,25);2-11,18,25H,1H3,(H,23,24);1-7,12,19,25H,8-11H2;1-12,16,23H,(H,21,22)
InChIKeyZHPPVPXRBAVYQS-UHFFFAOYSA-N
MW1873.86 g/mol
LogP24.77
Rot. Bonds19

About 7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (PubChem CID 162122639) has the molecular formula C104H85BrCl2N14O8S2 and a molecular weight of 1873.86 g/mol. Its IUPAC name is 7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
PubChem CID162122639
Molecular FormulaC104H85BrCl2N14O8S2
Molecular Weight1873.86 g/mol
Exact Mass1870.47
IUPAC Name7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc(Br)c2)c2ccc3cccnc3c2O)no1.Cc1ccnc(NC(c2ccccc2O)c2ccc3cccnc3c2O)c1.Oc1c(C(Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2ccccc2)ccc2cccnc12.Oc1c(C(c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C23H17N3OS.C22H19N3O2.C20H16BrN3O2.C20H18Cl2N2O2.C19H15N3OS/c27-22-17(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;1-12-10-17(24-26-12)23-18(14-4-2-6-15(21)11-14)16-8-7-13-5-3-9-22-19(13)20(16)25;21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25;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/h1-14,20,27H,(H,25,26);2-13,21,26-27H,1H3,(H,23,25);2-11,18,25H,1H3,(H,23,24);1-7,12,19,25H,8-11H2;1-12,16,23H,(H,21,22)
InChIKeyZHPPVPXRBAVYQS-UHFFFAOYSA-N
XLogP24.77
TPSA311.12 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001873.86
LogP ≤ 524.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]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)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]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)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (CID 162122639) is 7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]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)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]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)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is Cc1cc(NC(c2cccc(Br)c2)c2ccc3cccnc3c2O)no1.Cc1ccnc(NC(c2ccccc2O)c2ccc3cccnc3c2O)c1.Oc1c(C(Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc12.Oc1c(C(Nc2nccs2)c2ccccc2)ccc2cccnc12.Oc1c(C(c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12.
What is the InChIKey of 7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is ZHPPVPXRBAVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS.C22H19N3O2.C20H16BrN3O2.C20H18Cl2N2O2.C19H15N3OS/c27-22-17(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;1-12-10-17(24-26-12)23-18(14-4-2-6-15(21)11-14)16-8-7-13-5-3-9-22-19(13)20(16)25;21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25;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/h1-14,20,27H,(H,25,26);2-13,21,26-27H,1H3,(H,23,25);2-11,18,25H,1H3,(H,23,24);1-7,12,19,25H,8-11H2;1-12,16,23H,(H,21,22).
What are the key properties of 7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 1873.86 g/mol, XLogP of 24.77, 19 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol;7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol;5-chloro-7-[(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(2-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 162122639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).