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

C111H131Br2N9O6 — CID 162190872

IUPAC5-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
SMILESBrc1ccc2c(c1)CCC2C1CCCCC1.Brc1ccc2c(c1)CCN2.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.C15H19Br.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;16-13-7-9-15-12(10-13)6-8-14(15)11-4-2-1-3-5-11;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;7,9-11,14H,1-6,8H2;1-2,5,10H,3-4H2/b;13-11+;;10-8+;;
InChIKeyZQGYSKMQAKCYSC-LCBAZINGSA-N
MW1847.13 g/mol
LogP25.61
Rot. Bonds17

About 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

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 (PubChem CID 162190872) has the molecular formula C111H131Br2N9O6 and a molecular weight of 1847.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID162190872
Molecular FormulaC111H131Br2N9O6
Molecular Weight1847.13 g/mol
Exact Mass1843.86
IUPAC Name5-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
SMILESBrc1ccc2c(c1)CCC2C1CCCCC1.Brc1ccc2c(c1)CCN2.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.C15H19Br.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;16-13-7-9-15-12(10-13)6-8-14(15)11-4-2-1-3-5-11;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;7,9-11,14H,1-6,8H2;1-2,5,10H,3-4H2/b;13-11+;;10-8+;;
InChIKeyZQGYSKMQAKCYSC-LCBAZINGSA-N
XLogP25.61
TPSA161.57 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.13
LogP ≤ 525.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2c(c1)CCC2C1CCCCC1.Brc1ccc2c(c1)CCN2.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-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?
The InChIKey is ZQGYSKMQAKCYSC-LCBAZINGSA-N. The full InChI is InChI=1S/C26H29N3O.C26H27N3O.C18H25NO2.C18H23NO2.C15H19Br.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;16-13-7-9-15-12(10-13)6-8-14(15)11-4-2-1-3-5-11;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;7,9-11,14H,1-6,8H2;1-2,5,10H,3-4H2/b;13-11+;;10-8+;;.
What are the key properties of 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?
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 has a molecular weight of 1847.13 g/mol, XLogP of 25.61, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162190872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).