6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

C88H89Cl5F2N8 — CID 158317412

About 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 158317412) has the molecular formula C88H89Cl5F2N8 and a molecular weight of 1474.00 g/mol. Its IUPAC name is 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
• PubChem CID: 158317412
• Molecular Formula: C88H89Cl5F2N8
• Molecular Weight: 1474.00 g/mol
• Exact Mass: 1470.56
• IUPAC Name: 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
• SMILES: C/C(=C\n1c2c(c3cc(C)ccc31)CCN(C)C2)c1ccc(Cl)cc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccc(Cl)cc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CCN(C)C2C)c1ccc(F)cc1.CCC1c2c(c3cc(Cl)ccc3n2/C=C(\C)c2ccc(F)cc2)CCN1C
• InChI: InChI=1S/C23H24ClFN2.C22H22ClFN2.C22H23ClN2.C21H20Cl2N2/c1-4-21-23-19(11-12-26(21)3)20-13-17(24)7-10-22(20)27(23)14-15(2)16-5-8-18(25)9-6-16;1-14(16-4-7-18(24)8-5-16)13-26-21-9-6-17(23)12-20(21)19-10-11-25(3)15(2)22(19)26;1-15-4-9-21-20(12-15)19-10-11-24(3)14-22(19)25(21)13-16(2)17-5-7-18(23)8-6-17;1-14(15-3-5-16(22)6-4-15)12-25-20-8-7-17(23)11-19(20)18-9-10-24(2)13-21(18)25/h5-10,13-14,21H,4,11-12H2,1-3H3;4-9,12-13,15H,10-11H2,1-3H3;4-9,12-13H,10-11,14H2,1-3H3;3-8,11-12H,9-10,13H2,1-2H3/b15-14+;14-13+;16-13+;14-12+
• InChIKey: GOKVXKNNJXODMM-GTKGLKQPSA-N
• XLogP: 23.95
• TPSA: 32.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1474.00
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?

The IUPAC name of 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 158317412) is 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

What is the SMILES notation for 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?

The canonical SMILES for 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CCN(C)C2)c1ccc(Cl)cc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccc(Cl)cc1.C/C(=C\n1c2c(c3cc(Cl)ccc31)CCN(C)C2C)c1ccc(F)cc1.CCC1c2c(c3cc(Cl)ccc3n2/C=C(\C)c2ccc(F)cc2)CCN1C.

What is the InChIKey of 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?

The InChIKey is GOKVXKNNJXODMM-GTKGLKQPSA-N. The full InChI is InChI=1S/C23H24ClFN2.C22H22ClFN2.C22H23ClN2.C21H20Cl2N2/c1-4-21-23-19(11-12-26(21)3)20-13-17(24)7-10-22(20)27(23)14-15(2)16-5-8-18(25)9-6-16;1-14(16-4-7-18(24)8-5-16)13-26-21-9-6-17(23)12-20(21)19-10-11-25(3)15(2)22(19)26;1-15-4-9-21-20(12-15)19-10-11-24(3)14-22(19)25(21)13-16(2)17-5-7-18(23)8-6-17;1-14(15-3-5-16(22)6-4-15)12-25-20-8-7-17(23)11-19(20)18-9-10-24(2)13-21(18)25/h5-10,13-14,21H,4,11-12H2,1-3H3;4-9,12-13,15H,10-11H2,1-3H3;4-9,12-13H,10-11,14H2,1-3H3;3-8,11-12H,9-10,13H2,1-2H3/b15-14+;14-13+;16-13+;14-12+.

What are the key properties of 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?

6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 1474.00 g/mol, XLogP of 23.95, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-1-ethyl-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 158317412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).