ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate

C64H76Cl2N6O6 — CID 159155394

IUPACethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(n2C2CCCCC2)-c2ccc(Cl)cc2N(CC(=O)N2CCCCC2)C(=O)C1.CCOC(=O)c1ccc2c(c1)c1c(n2C2CCCCC2)-c2ccc(Cl)cc2N(CCN2CCCCC2)CC1
InChIInChI=1S/C32H36ClN3O4.C32H40ClN3O2/c1-2-40-32(39)21-11-14-27-25(17-21)26-19-29(37)35(20-30(38)34-15-7-4-8-16-34)28-18-22(33)12-13-24(28)31(26)36(27)23-9-5-3-6-10-23;1-2-38-32(37)23-11-14-29-28(21-23)26-15-18-35(20-19-34-16-7-4-8-17-34)30-22-24(33)12-13-27(30)31(26)36(29)25-9-5-3-6-10-25/h11-14,17-18,23H,2-10,15-16,19-20H2,1H3;11-14,21-22,25H,2-10,15-20H2,1H3
InChIKeyKJVDUOCKISJLMD-UHFFFAOYSA-N
MW1096.25 g/mol
LogP14.04
Rot. Bonds11

About ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate

ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate (PubChem CID 159155394) has the molecular formula C64H76Cl2N6O6 and a molecular weight of 1096.25 g/mol. Its IUPAC name is ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate
PubChem CID159155394
Molecular FormulaC64H76Cl2N6O6
Molecular Weight1096.25 g/mol
Exact Mass1094.52
IUPAC Nameethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(n2C2CCCCC2)-c2ccc(Cl)cc2N(CC(=O)N2CCCCC2)C(=O)C1.CCOC(=O)c1ccc2c(c1)c1c(n2C2CCCCC2)-c2ccc(Cl)cc2N(CCN2CCCCC2)CC1
InChIInChI=1S/C32H36ClN3O4.C32H40ClN3O2/c1-2-40-32(39)21-11-14-27-25(17-21)26-19-29(37)35(20-30(38)34-15-7-4-8-16-34)28-18-22(33)12-13-24(28)31(26)36(27)23-9-5-3-6-10-23;1-2-38-32(37)23-11-14-29-28(21-23)26-15-18-35(20-19-34-16-7-4-8-17-34)30-22-24(33)12-13-27(30)31(26)36(29)25-9-5-3-6-10-25/h11-14,17-18,23H,2-10,15-16,19-20H2,1H3;11-14,21-22,25H,2-10,15-20H2,1H3
InChIKeyKJVDUOCKISJLMD-UHFFFAOYSA-N
XLogP14.04
TPSA109.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.25
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate with MolForge

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Related Compounds

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CID 7249189
bis(carbon dioxide);3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one;3-chloro-13-cyclohexyl-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;2-chloro-1-piperidin-1-ylethanone
CID 161014550
bis(carbon dioxide);13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one;13-cyclohexyl-2-fluoro-10-methyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine
CID 161086475
13-cyclohexyl-3,10-dimethyl-5-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]-7H-indolo[1,2-d][1,4]benzodiazepin-6-one
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5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
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ethyl (5S)-4-benzyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene-12-carboxylate
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13-cyclohexyl-3-methyl-5-[2-(4-methyl-5-oxo-1,4-diazepan-1-yl)ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate?
The IUPAC name of ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate (CID 159155394) is ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate.
What is the SMILES notation for ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate?
The canonical SMILES for ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate is CCOC(=O)c1ccc2c(c1)c1c(n2C2CCCCC2)-c2ccc(Cl)cc2N(CC(=O)N2CCCCC2)C(=O)C1.CCOC(=O)c1ccc2c(c1)c1c(n2C2CCCCC2)-c2ccc(Cl)cc2N(CCN2CCCCC2)CC1.
What is the InChIKey of ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate?
The InChIKey is KJVDUOCKISJLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O4.C32H40ClN3O2/c1-2-40-32(39)21-11-14-27-25(17-21)26-19-29(37)35(20-30(38)34-15-7-4-8-16-34)28-18-22(33)12-13-24(28)31(26)36(27)23-9-5-3-6-10-23;1-2-38-32(37)23-11-14-29-28(21-23)26-15-18-35(20-19-34-16-7-4-8-17-34)30-22-24(33)12-13-27(30)31(26)36(29)25-9-5-3-6-10-25/h11-14,17-18,23H,2-10,15-16,19-20H2,1H3;11-14,21-22,25H,2-10,15-20H2,1H3.
What are the key properties of ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate?
ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate has a molecular weight of 1096.25 g/mol, XLogP of 14.04, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-12-cyclohexyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[3,2-d][1]benzazepine-9-carboxylate;ethyl 3-chloro-12-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[3,2-d][1]benzazepine-9-carboxylate is sourced from PubChem (CID 159155394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).