7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol

C111H114N10O8S — CID 158286963

IUPAC7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESC.CC1CN(C(c2ccccc2)c2ccc3cccnc3c2O)CC(C)O1.CN(Cc1ccccc1)C(c1ccccc1)c1ccc2cccnc2c1O.Cc1ccc(C(c2ccc3cccnc3c2O)N2CC(C)OC(C)C2)cc1.Oc1c(C(NCc2ccccc2)c2ccccc2)ccc2cccnc12.Oc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C24H22N2O.C23H26N2O2.C23H20N2O.C22H24N2O2.C18H18N2O2S.CH4/c1-26(17-18-9-4-2-5-10-18)23(20-11-6-3-7-12-20)21-15-14-19-13-8-16-25-22(19)24(21)27;1-15-6-8-19(9-7-15)22(25-13-16(2)27-17(3)14-25)20-11-10-18-5-4-12-24-21(18)23(20)26;26-23-20(14-13-19-12-7-15-24-22(19)23)21(18-10-5-2-6-11-18)25-16-17-8-3-1-4-9-17;1-15-13-24(14-16(2)26-15)21(18-7-4-3-5-8-18)19-11-10-17-9-6-12-23-20(17)22(19)25;21-18-14(6-5-13-3-1-7-19-16(13)18)17(15-4-2-12-23-15)20-8-10-22-11-9-20;/h2-16,23,27H,17H2,1H3;4-12,16-17,22,26H,13-14H2,1-3H3;1-15,21,25-26H,16H2;3-12,15-16,21,25H,13-14H2,1-2H3;1-7,12,17,21H,8-11H2;1H4
InChIKeyGKWXLBWARSOMPK-UHFFFAOYSA-N
MW1748.26 g/mol
LogP22.63
Rot. Bonds19

About 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol

7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol (PubChem CID 158286963) has the molecular formula C111H114N10O8S and a molecular weight of 1748.26 g/mol. Its IUPAC name is 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
PubChem CID158286963
Molecular FormulaC111H114N10O8S
Molecular Weight1748.26 g/mol
Exact Mass1746.85
IUPAC Name7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESC.CC1CN(C(c2ccccc2)c2ccc3cccnc3c2O)CC(C)O1.CN(Cc1ccccc1)C(c1ccccc1)c1ccc2cccnc2c1O.Cc1ccc(C(c2ccc3cccnc3c2O)N2CC(C)OC(C)C2)cc1.Oc1c(C(NCc2ccccc2)c2ccccc2)ccc2cccnc12.Oc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C24H22N2O.C23H26N2O2.C23H20N2O.C22H24N2O2.C18H18N2O2S.CH4/c1-26(17-18-9-4-2-5-10-18)23(20-11-6-3-7-12-20)21-15-14-19-13-8-16-25-22(19)24(21)27;1-15-6-8-19(9-7-15)22(25-13-16(2)27-17(3)14-25)20-11-10-18-5-4-12-24-21(18)23(20)26;26-23-20(14-13-19-12-7-15-24-22(19)23)21(18-10-5-2-6-11-18)25-16-17-8-3-1-4-9-17;1-15-13-24(14-16(2)26-15)21(18-7-4-3-5-8-18)19-11-10-17-9-6-12-23-20(17)22(19)25;21-18-14(6-5-13-3-1-7-19-16(13)18)17(15-4-2-12-23-15)20-8-10-22-11-9-20;/h2-16,23,27H,17H2,1H3;4-12,16-17,22,26H,13-14H2,1-3H3;1-15,21,25-26H,16H2;3-12,15-16,21,25H,13-14H2,1-2H3;1-7,12,17,21H,8-11H2;1H4
InChIKeyGKWXLBWARSOMPK-UHFFFAOYSA-N
XLogP22.63
TPSA218.28 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001748.26
LogP ≤ 522.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol (CID 158286963) is 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol is C.CC1CN(C(c2ccccc2)c2ccc3cccnc3c2O)CC(C)O1.CN(Cc1ccccc1)C(c1ccccc1)c1ccc2cccnc2c1O.Cc1ccc(C(c2ccc3cccnc3c2O)N2CC(C)OC(C)C2)cc1.Oc1c(C(NCc2ccccc2)c2ccccc2)ccc2cccnc12.Oc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12.
What is the InChIKey of 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The InChIKey is GKWXLBWARSOMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O.C23H26N2O2.C23H20N2O.C22H24N2O2.C18H18N2O2S.CH4/c1-26(17-18-9-4-2-5-10-18)23(20-11-6-3-7-12-20)21-15-14-19-13-8-16-25-22(19)24(21)27;1-15-6-8-19(9-7-15)22(25-13-16(2)27-17(3)14-25)20-11-10-18-5-4-12-24-21(18)23(20)26;26-23-20(14-13-19-12-7-15-24-22(19)23)21(18-10-5-2-6-11-18)25-16-17-8-3-1-4-9-17;1-15-13-24(14-16(2)26-15)21(18-7-4-3-5-8-18)19-11-10-17-9-6-12-23-20(17)22(19)25;21-18-14(6-5-13-3-1-7-19-16(13)18)17(15-4-2-12-23-15)20-8-10-22-11-9-20;/h2-16,23,27H,17H2,1H3;4-12,16-17,22,26H,13-14H2,1-3H3;1-15,21,25-26H,16H2;3-12,15-16,21,25H,13-14H2,1-2H3;1-7,12,17,21H,8-11H2;1H4.
What are the key properties of 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol has a molecular weight of 1748.26 g/mol, XLogP of 22.63, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 158286963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).