8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline

C113H82ClF10N13O2 — CID 158308008

IUPAC8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCC(F)(F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.CNC(=O)c1ccc(Cl)c2nc(-c3c[nH]c4c(F)c(C)c(F)cc34)ccc12.COc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1cc2[nH]cc(-c3ccc4ccc(F)cc4n3)c2cc1F.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4c(C)cccc34)ccc2c1
InChIInChI=1S/C20H14ClF2N3O.C19H11F5N2.C19H16N2O.C19H16N2.C18H12F2N2.C18H13FN2/c1-9-15(22)7-12-13(8-25-19(12)17(9)23)16-6-4-10-11(20(27)24-2)3-5-14(21)18(10)26-16;1-19(23,24)12-3-2-4-14-9(12)5-6-15(26-14)11-8-25-18-10(11)7-13(20)16(21)17(18)22;1-12-10-17(21-16-8-4-3-6-13(12)16)15-11-20-19-14(15)7-5-9-18(19)22-2;1-12-6-8-17-14(10-12)7-9-18(21-17)16-11-20-19-13(2)4-3-5-15(16)19;1-10-6-18-13(8-15(10)20)14(9-21-18)16-5-3-11-2-4-12(19)7-17(11)22-16;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/h3-8,25H,1-2H3,(H,24,27);2-8,25H,1H3;3-11,20H,1-2H3;3-11,20H,1-2H3;2-9,21H,1H3;2-10,20H,1H3
InChIKeyGNIDRZHURMCRRN-UHFFFAOYSA-N
MW1879.42 g/mol
LogP30.40
Rot. Bonds9

About 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline

8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline (PubChem CID 158308008) has the molecular formula C113H82ClF10N13O2 and a molecular weight of 1879.42 g/mol. Its IUPAC name is 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
PubChem CID158308008
Molecular FormulaC113H82ClF10N13O2
Molecular Weight1879.42 g/mol
Exact Mass1877.62
IUPAC Name8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCC(F)(F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.CNC(=O)c1ccc(Cl)c2nc(-c3c[nH]c4c(F)c(C)c(F)cc34)ccc12.COc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1cc2[nH]cc(-c3ccc4ccc(F)cc4n3)c2cc1F.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4c(C)cccc34)ccc2c1
InChIInChI=1S/C20H14ClF2N3O.C19H11F5N2.C19H16N2O.C19H16N2.C18H12F2N2.C18H13FN2/c1-9-15(22)7-12-13(8-25-19(12)17(9)23)16-6-4-10-11(20(27)24-2)3-5-14(21)18(10)26-16;1-19(23,24)12-3-2-4-14-9(12)5-6-15(26-14)11-8-25-18-10(11)7-13(20)16(21)17(18)22;1-12-10-17(21-16-8-4-3-6-13(12)16)15-11-20-19-14(15)7-5-9-18(19)22-2;1-12-6-8-17-14(10-12)7-9-18(21-17)16-11-20-19-13(2)4-3-5-15(16)19;1-10-6-18-13(8-15(10)20)14(9-21-18)16-5-3-11-2-4-12(19)7-17(11)22-16;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/h3-8,25H,1-2H3,(H,24,27);2-8,25H,1H3;3-11,20H,1-2H3;3-11,20H,1-2H3;2-9,21H,1H3;2-10,20H,1H3
InChIKeyGNIDRZHURMCRRN-UHFFFAOYSA-N
XLogP30.40
TPSA210.41 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.42
LogP ≤ 530.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?
The IUPAC name of 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline (CID 158308008) is 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline is CC(F)(F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.CNC(=O)c1ccc(Cl)c2nc(-c3c[nH]c4c(F)c(C)c(F)cc34)ccc12.COc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1cc2[nH]cc(-c3ccc4ccc(F)cc4n3)c2cc1F.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4c(C)cccc34)ccc2c1.
What is the InChIKey of 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?
The InChIKey is GNIDRZHURMCRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O.C19H11F5N2.C19H16N2O.C19H16N2.C18H12F2N2.C18H13FN2/c1-9-15(22)7-12-13(8-25-19(12)17(9)23)16-6-4-10-11(20(27)24-2)3-5-14(21)18(10)26-16;1-19(23,24)12-3-2-4-14-9(12)5-6-15(26-14)11-8-25-18-10(11)7-13(20)16(21)17(18)22;1-12-10-17(21-16-8-4-3-6-13(12)16)15-11-20-19-14(15)7-5-9-18(19)22-2;1-12-6-8-17-14(10-12)7-9-18(21-17)16-11-20-19-13(2)4-3-5-15(16)19;1-10-6-18-13(8-15(10)20)14(9-21-18)16-5-3-11-2-4-12(19)7-17(11)22-16;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/h3-8,25H,1-2H3,(H,24,27);2-8,25H,1H3;3-11,20H,1-2H3;3-11,20H,1-2H3;2-9,21H,1H3;2-10,20H,1H3.
What are the key properties of 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?
8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline has a molecular weight of 1879.42 g/mol, XLogP of 30.40, 9 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 158308008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).