7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

C63H68BrN3O6 — CID 159857966

IUPAC7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1Br)NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C22H24BrNO2.C21H23NO2.C20H21NO2/c1-14-8-13-18-20(19(14)23)24-21(26)22(18,15-6-4-2-3-5-7-15)16-9-11-17(25)12-10-16;1-14-6-5-9-18-19(14)22-20(24)21(18,15-7-3-2-4-8-15)16-10-12-17(23)13-11-16;1-13-5-4-8-17-18(13)21-19(23)20(17,14-6-2-3-7-14)15-9-11-16(22)12-10-15/h8-13,15,25H,2-7H2,1H3,(H,24,26);5-6,9-13,15,23H,2-4,7-8H2,1H3,(H,22,24);4-5,8-12,14,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyNQTSKEWDAHFHCX-UHFFFAOYSA-N
MW1043.16 g/mol
LogP14.32
Rot. Bonds6

About 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (PubChem CID 159857966) has the molecular formula C63H68BrN3O6 and a molecular weight of 1043.16 g/mol. Its IUPAC name is 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
PubChem CID159857966
Molecular FormulaC63H68BrN3O6
Molecular Weight1043.16 g/mol
Exact Mass1041.43
IUPAC Name7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1Br)NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C22H24BrNO2.C21H23NO2.C20H21NO2/c1-14-8-13-18-20(19(14)23)24-21(26)22(18,15-6-4-2-3-5-7-15)16-9-11-17(25)12-10-16;1-14-6-5-9-18-19(14)22-20(24)21(18,15-7-3-2-4-8-15)16-10-12-17(23)13-11-16;1-13-5-4-8-17-18(13)21-19(23)20(17,14-6-2-3-7-14)15-9-11-16(22)12-10-15/h8-13,15,25H,2-7H2,1H3,(H,24,26);5-6,9-13,15,23H,2-4,7-8H2,1H3,(H,22,24);4-5,8-12,14,22H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyNQTSKEWDAHFHCX-UHFFFAOYSA-N
XLogP14.32
TPSA147.99 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001043.16
LogP ≤ 514.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The IUPAC name of 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (CID 159857966) is 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.
What is the SMILES notation for 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The canonical SMILES for 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is Cc1ccc2c(c1Br)NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The InChIKey is NQTSKEWDAHFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrNO2.C21H23NO2.C20H21NO2/c1-14-8-13-18-20(19(14)23)24-21(26)22(18,15-6-4-2-3-5-7-15)16-9-11-17(25)12-10-16;1-14-6-5-9-18-19(14)22-20(24)21(18,15-7-3-2-4-8-15)16-10-12-17(23)13-11-16;1-13-5-4-8-17-18(13)21-19(23)20(17,14-6-2-3-7-14)15-9-11-16(22)12-10-15/h8-13,15,25H,2-7H2,1H3,(H,24,26);5-6,9-13,15,23H,2-4,7-8H2,1H3,(H,22,24);4-5,8-12,14,22H,2-3,6-7H2,1H3,(H,21,23).
What are the key properties of 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one has a molecular weight of 1043.16 g/mol, XLogP of 14.32, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is sourced from PubChem (CID 159857966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).