5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide

C81H66F6N12O7 — CID 158796309

IUPAC5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)cc1.Cc1cc2ncnc(Oc3ccc4c(cc(C)n4C(=O)Nc4ccccc4C(F)(F)F)c3F)c2cc1C.Cc1cccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)c1
InChIInChI=1S/C27H20F4N4O2.C27H23FN4O3.C27H23FN4O2/c1-14-10-17-21(11-15(14)2)32-13-33-25(17)37-23-9-8-22-18(24(23)28)12-16(3)35(22)26(36)34-20-7-5-4-6-19(20)27(29,30)31;1-15-11-20-22(12-16(15)2)29-14-30-26(20)35-24-10-9-23-21(25(24)28)13-17(3)32(23)27(33)31-18-5-7-19(34-4)8-6-18;1-15-6-5-7-19(10-15)31-27(33)32-18(4)13-21-23(32)8-9-24(25(21)28)34-26-20-11-16(2)17(3)12-22(20)29-14-30-26/h4-13H,1-3H3,(H,34,36);5-14H,1-4H3,(H,31,33);5-14H,1-4H3,(H,31,33)
InChIKeyISXDSZOTNLQYGS-UHFFFAOYSA-N
MW1433.48 g/mol
LogP20.90
Rot. Bonds10

About 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide

5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 158796309) has the molecular formula C81H66F6N12O7 and a molecular weight of 1433.48 g/mol. Its IUPAC name is 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID158796309
Molecular FormulaC81H66F6N12O7
Molecular Weight1433.48 g/mol
Exact Mass1432.51
IUPAC Name5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)cc1.Cc1cc2ncnc(Oc3ccc4c(cc(C)n4C(=O)Nc4ccccc4C(F)(F)F)c3F)c2cc1C.Cc1cccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)c1
InChIInChI=1S/C27H20F4N4O2.C27H23FN4O3.C27H23FN4O2/c1-14-10-17-21(11-15(14)2)32-13-33-25(17)37-23-9-8-22-18(24(23)28)12-16(3)35(22)26(36)34-20-7-5-4-6-19(20)27(29,30)31;1-15-11-20-22(12-16(15)2)29-14-30-26(20)35-24-10-9-23-21(25(24)28)13-17(3)32(23)27(33)31-18-5-7-19(34-4)8-6-18;1-15-6-5-7-19(10-15)31-27(33)32-18(4)13-21-23(32)8-9-24(25(21)28)34-26-20-11-16(2)17(3)12-22(20)29-14-30-26/h4-13H,1-3H3,(H,34,36);5-14H,1-4H3,(H,31,33);5-14H,1-4H3,(H,31,33)
InChIKeyISXDSZOTNLQYGS-UHFFFAOYSA-N
XLogP20.90
TPSA216.35 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.48
LogP ≤ 520.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide with MolForge

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Related Compounds

1,3-bis[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propyl]urea;2,2,2-trifluoroacetic acid
CID 393667
1,3-Bis[3-[3-[(9-methoxy-5,11-dimethyl-6h-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methyl-amino]propyl]urea
CID 393668
4-fluoro-2-methyl-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 46224263
N-(3-((isopropylamino)methyl)-5-(trifluoromethyl)phenyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-1H-indole-1-carboxamide
CID 59394061
tert-butyl 4-[1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]indol-5-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 59394195
5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394272
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394273
5-[6-[(4-acetylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394297
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-4-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindole-1-carboxamide
CID 59394372
4-fluoro-5-[[7-(3-methoxypropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394392
5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394403
2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394436

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 158796309) is 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide is COc1ccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)cc1.Cc1cc2ncnc(Oc3ccc4c(cc(C)n4C(=O)Nc4ccccc4C(F)(F)F)c3F)c2cc1C.Cc1cccc(NC(=O)n2c(C)cc3c(F)c(Oc4ncnc5cc(C)c(C)cc45)ccc32)c1.
What is the InChIKey of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is ISXDSZOTNLQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N4O2.C27H23FN4O3.C27H23FN4O2/c1-14-10-17-21(11-15(14)2)32-13-33-25(17)37-23-9-8-22-18(24(23)28)12-16(3)35(22)26(36)34-20-7-5-4-6-19(20)27(29,30)31;1-15-11-20-22(12-16(15)2)29-14-30-26(20)35-24-10-9-23-21(25(24)28)13-17(3)32(23)27(33)31-18-5-7-19(34-4)8-6-18;1-15-6-5-7-19(10-15)31-27(33)32-18(4)13-21-23(32)8-9-24(25(21)28)34-26-20-11-16(2)17(3)12-22(20)29-14-30-26/h4-13H,1-3H3,(H,34,36);5-14H,1-4H3,(H,31,33);5-14H,1-4H3,(H,31,33).
What are the key properties of 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 1433.48 g/mol, XLogP of 20.90, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethylquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 158796309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).