2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol

C163H120F10N18O — CID 161411202

IUPAC2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
SMILESCC1(C)C(c2c[nH]c3ccccc23)=Nc2ccccc21.Cc1c(F)cc2c(-c3ccc4cccc(F)c4n3)c[nH]c2c1F.Cc1cc2[nH]cc(-c3ccc4cccc(C(F)(F)F)c4n3)c2cc1F.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4cc(F)c(F)cc34)ccc2c1.Cc1cccc2c(-c3ccc4c(CO)cccc4n3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.c1ccc2ncc(-c3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C19H12F4N2.C19H16N2O.C18H11F3N2.C18H12F2N2.C18H13FN2.C18H16N2.2C18H14N2.C17H12N2/c1-10-7-17-12(8-15(10)20)13(9-24-17)16-6-5-11-3-2-4-14(18(11)25-16)19(21,22)23;1-12-4-2-6-15-16(10-20-19(12)15)18-9-8-14-13(11-22)5-3-7-17(14)21-18;1-9-14(20)7-11-12(8-22-18(11)16(9)21)15-6-5-10-3-2-4-13(19)17(10)23-15;1-10-2-4-16-11(6-10)3-5-17(22-16)13-9-21-18-8-15(20)14(19)7-12(13)18;1-11-6-8-14(19)17-13(10-20-18(11)17)16-9-7-12-4-2-3-5-15(12)21-16;1-18(2)14-8-4-6-10-16(14)20-17(18)13-11-19-15-9-5-3-7-12(13)15;2*1-12-5-4-7-15-16(11-20-18(12)15)14-9-13-6-2-3-8-17(13)19-10-14;1-3-7-16-12(5-1)9-13(10-18-16)15-11-19-17-8-4-2-6-14(15)17/h2-9,24H,1H3;2-10,20,22H,11H2,1H3;2-8,22H,1H3;2-9,21H,1H3;2-10,20H,1H3;3-11,19H,1-2H3;2*2-11,20H,1H3;1-11,19H
InChIKeyVVMKCGOZINXHTI-UHFFFAOYSA-N
MW2536.86 g/mol
LogP43.29
Rot. Bonds10

About 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol

2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol (PubChem CID 161411202) has the molecular formula C163H120F10N18O and a molecular weight of 2536.86 g/mol. Its IUPAC name is 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol.

Molecular Properties

Compound Name2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
PubChem CID161411202
Molecular FormulaC163H120F10N18O
Molecular Weight2536.86 g/mol
Exact Mass2534.97
IUPAC Name2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
SMILESCC1(C)C(c2c[nH]c3ccccc23)=Nc2ccccc21.Cc1c(F)cc2c(-c3ccc4cccc(F)c4n3)c[nH]c2c1F.Cc1cc2[nH]cc(-c3ccc4cccc(C(F)(F)F)c4n3)c2cc1F.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4cc(F)c(F)cc34)ccc2c1.Cc1cccc2c(-c3ccc4c(CO)cccc4n3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.c1ccc2ncc(-c3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C19H12F4N2.C19H16N2O.C18H11F3N2.C18H12F2N2.C18H13FN2.C18H16N2.2C18H14N2.C17H12N2/c1-10-7-17-12(8-15(10)20)13(9-24-17)16-6-5-11-3-2-4-14(18(11)25-16)19(21,22)23;1-12-4-2-6-15-16(10-20-19(12)15)18-9-8-14-13(11-22)5-3-7-17(14)21-18;1-9-14(20)7-11-12(8-22-18(11)16(9)21)15-6-5-10-3-2-4-13(19)17(10)23-15;1-10-2-4-16-11(6-10)3-5-17(22-16)13-9-21-18-8-15(20)14(19)7-12(13)18;1-11-6-8-14(19)17-13(10-20-18(11)17)16-9-7-12-4-2-3-5-15(12)21-16;1-18(2)14-8-4-6-10-16(14)20-17(18)13-11-19-15-9-5-3-7-12(13)15;2*1-12-5-4-7-15-16(11-20-18(12)15)14-9-13-6-2-3-8-17(13)19-10-14;1-3-7-16-12(5-1)9-13(10-18-16)15-11-19-17-8-4-2-6-14(15)17/h2-9,24H,1H3;2-10,20,22H,11H2,1H3;2-8,22H,1H3;2-9,21H,1H3;2-10,20H,1H3;3-11,19H,1-2H3;2*2-11,20H,1H3;1-11,19H
InChIKeyVVMKCGOZINXHTI-UHFFFAOYSA-N
XLogP43.29
TPSA277.82 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002536.86
LogP ≤ 543.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol?
The IUPAC name of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol (CID 161411202) is 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol.
What is the SMILES notation for 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol?
The canonical SMILES for 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol is CC1(C)C(c2c[nH]c3ccccc23)=Nc2ccccc21.Cc1c(F)cc2c(-c3ccc4cccc(F)c4n3)c[nH]c2c1F.Cc1cc2[nH]cc(-c3ccc4cccc(C(F)(F)F)c4n3)c2cc1F.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4cc(F)c(F)cc34)ccc2c1.Cc1cccc2c(-c3ccc4c(CO)cccc4n3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.c1ccc2ncc(-c3c[nH]c4ccccc34)cc2c1.
What is the InChIKey of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol?
The InChIKey is VVMKCGOZINXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2.C19H16N2O.C18H11F3N2.C18H12F2N2.C18H13FN2.C18H16N2.2C18H14N2.C17H12N2/c1-10-7-17-12(8-15(10)20)13(9-24-17)16-6-5-11-3-2-4-14(18(11)25-16)19(21,22)23;1-12-4-2-6-15-16(10-20-19(12)15)18-9-8-14-13(11-22)5-3-7-17(14)21-18;1-9-14(20)7-11-12(8-22-18(11)16(9)21)15-6-5-10-3-2-4-13(19)17(10)23-15;1-10-2-4-16-11(6-10)3-5-17(22-16)13-9-21-18-8-15(20)14(19)7-12(13)18;1-11-6-8-14(19)17-13(10-20-18(11)17)16-9-7-12-4-2-3-5-15(12)21-16;1-18(2)14-8-4-6-10-16(14)20-17(18)13-11-19-15-9-5-3-7-12(13)15;2*1-12-5-4-7-15-16(11-20-18(12)15)14-9-13-6-2-3-8-17(13)19-10-14;1-3-7-16-12(5-1)9-13(10-18-16)15-11-19-17-8-4-2-6-14(15)17/h2-9,24H,1H3;2-10,20,22H,11H2,1H3;2-8,22H,1H3;2-9,21H,1H3;2-10,20H,1H3;3-11,19H,1-2H3;2*2-11,20H,1H3;1-11,19H.
What are the key properties of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol?
2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol has a molecular weight of 2536.86 g/mol, XLogP of 43.29, 10 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol is sourced from PubChem (CID 161411202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).