5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate

C110H130Br2N10O6 — CID 158013513

IUPAC5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate
SMILESBrc1ccc2c(c1)CCN2.Brc1ccc2c(c1)CCN2C1CCCCC1.COC(=O)/C=C/c1ccc2c(c1)CCN2C1CCCCC1.COC(=O)CCc1ccc2c(c1)CCN2C1CCCCC1.O=C(/C=C/c1ccc2c(c1)CCN2C1CCCCC1)Nc1cnc2ccccc2c1.O=C(CCc1ccc2c(c1)CCN2C1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C26H29N3O.C26H27N3O.C18H25NO2.C18H23NO2.C14H18BrN.C8H8BrN/c2*30-26(28-22-17-20-6-4-5-9-24(20)27-18-22)13-11-19-10-12-25-21(16-19)14-15-29(25)23-7-2-1-3-8-23;2*1-21-18(20)10-8-14-7-9-17-15(13-14)11-12-19(17)16-5-3-2-4-6-16;15-12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;9-7-1-2-8-6(5-7)3-4-10-8/h4-6,9-10,12,16-18,23H,1-3,7-8,11,13-15H2,(H,28,30);4-6,9-13,16-18,23H,1-3,7-8,14-15H2,(H,28,30);7,9,13,16H,2-6,8,10-12H2,1H3;7-10,13,16H,2-6,11-12H2,1H3;6-7,10,13H,1-5,8-9H2;1-2,5,10H,3-4H2/b;13-11+;;10-8+;;
InChIKeyFFEKTVOMXCTWNC-LCBAZINGSA-N
MW1848.12 g/mol
LogP24.70
Rot. Bonds17

About 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate

5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate (PubChem CID 158013513) has the molecular formula C110H130Br2N10O6 and a molecular weight of 1848.12 g/mol. Its IUPAC name is 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate.

Molecular Properties

Compound Name5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate
PubChem CID158013513
Molecular FormulaC110H130Br2N10O6
Molecular Weight1848.12 g/mol
Exact Mass1844.85
IUPAC Name5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate
SMILESBrc1ccc2c(c1)CCN2.Brc1ccc2c(c1)CCN2C1CCCCC1.COC(=O)/C=C/c1ccc2c(c1)CCN2C1CCCCC1.COC(=O)CCc1ccc2c(c1)CCN2C1CCCCC1.O=C(/C=C/c1ccc2c(c1)CCN2C1CCCCC1)Nc1cnc2ccccc2c1.O=C(CCc1ccc2c(c1)CCN2C1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C26H29N3O.C26H27N3O.C18H25NO2.C18H23NO2.C14H18BrN.C8H8BrN/c2*30-26(28-22-17-20-6-4-5-9-24(20)27-18-22)13-11-19-10-12-25-21(16-19)14-15-29(25)23-7-2-1-3-8-23;2*1-21-18(20)10-8-14-7-9-17-15(13-14)11-12-19(17)16-5-3-2-4-6-16;15-12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;9-7-1-2-8-6(5-7)3-4-10-8/h4-6,9-10,12,16-18,23H,1-3,7-8,11,13-15H2,(H,28,30);4-6,9-13,16-18,23H,1-3,7-8,14-15H2,(H,28,30);7,9,13,16H,2-6,8,10-12H2,1H3;7-10,13,16H,2-6,11-12H2,1H3;6-7,10,13H,1-5,8-9H2;1-2,5,10H,3-4H2/b;13-11+;;10-8+;;
InChIKeyFFEKTVOMXCTWNC-LCBAZINGSA-N
XLogP24.70
TPSA164.81 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001848.12
LogP ≤ 524.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate with MolForge

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Related Compounds

(3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-4-(5-bromo-1H-indol-3-yl)pyrrolidine-2,5-dione;3-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
CID 157545191
4-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-5-(5-bromo-1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(5-bromo-1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-oxoacetate
CID 157559930
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione;3-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
CID 157739859
5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;N-(4-chloroquinolin-3-yl)-1-cyclohexyl-2,3-dihydroindole-5-carboxamide;methyl 1-cyclohexyl-2,3-dihydroindole-5-carboxylate
CID 157846416
5-bromo-3-isocyano-1H-indole;ethyl 3-(3-isocyano-1H-indol-5-yl)-3-phenylpropanoate;ethyl (Z)-3-(3-isocyano-1H-indol-5-yl)-3-phenylprop-2-enoate;3-(3-isocyano-1H-indol-5-yl)-N-methyl-3-phenylpropan-1-amine;3-(3-isocyano-1H-indol-5-yl)-3-phenylpropan-1-ol
CID 158103827
3-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione;2-(5-bromo-1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-oxoacetate
CID 158557795
5-bromo-7-fluoro-3-isocyano-1H-indole;ethyl 3-(7-fluoro-3-isocyano-1H-indol-5-yl)-3-phenylpropanoate;ethyl (Z)-3-(7-fluoro-3-isocyano-1H-indol-5-yl)-3-phenylprop-2-enoate;3-(7-fluoro-3-isocyano-1H-indol-5-yl)-N-methyl-3-phenylpropan-1-amine;3-(7-fluoro-3-isocyano-1H-indol-5-yl)-3-phenylpropan-1-ol
CID 159537977
5-bromo-1-cyclohexyl-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate
CID 162190872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate?
The IUPAC name of 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate (CID 158013513) is 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate.
What is the SMILES notation for 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate?
The canonical SMILES for 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate is Brc1ccc2c(c1)CCN2.Brc1ccc2c(c1)CCN2C1CCCCC1.COC(=O)/C=C/c1ccc2c(c1)CCN2C1CCCCC1.COC(=O)CCc1ccc2c(c1)CCN2C1CCCCC1.O=C(/C=C/c1ccc2c(c1)CCN2C1CCCCC1)Nc1cnc2ccccc2c1.O=C(CCc1ccc2c(c1)CCN2C1CCCCC1)Nc1cnc2ccccc2c1.
What is the InChIKey of 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate?
The InChIKey is FFEKTVOMXCTWNC-LCBAZINGSA-N. The full InChI is InChI=1S/C26H29N3O.C26H27N3O.C18H25NO2.C18H23NO2.C14H18BrN.C8H8BrN/c2*30-26(28-22-17-20-6-4-5-9-24(20)27-18-22)13-11-19-10-12-25-21(16-19)14-15-29(25)23-7-2-1-3-8-23;2*1-21-18(20)10-8-14-7-9-17-15(13-14)11-12-19(17)16-5-3-2-4-6-16;15-12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;9-7-1-2-8-6(5-7)3-4-10-8/h4-6,9-10,12,16-18,23H,1-3,7-8,11,13-15H2,(H,28,30);4-6,9-13,16-18,23H,1-3,7-8,14-15H2,(H,28,30);7,9,13,16H,2-6,8,10-12H2,1H3;7-10,13,16H,2-6,11-12H2,1H3;6-7,10,13H,1-5,8-9H2;1-2,5,10H,3-4H2/b;13-11+;;10-8+;;.
What are the key properties of 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate?
5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate has a molecular weight of 1848.12 g/mol, XLogP of 24.70, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclohexyl-2,3-dihydroindole;5-bromo-2,3-dihydro-1H-indole;3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylpropanamide;(E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)-N-quinolin-3-ylprop-2-enamide;methyl 3-(1-cyclohexyl-2,3-dihydroindol-5-yl)propanoate;methyl (E)-3-(1-cyclohexyl-2,3-dihydroindol-5-yl)prop-2-enoate is sourced from PubChem (CID 158013513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).