9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C21H20Cl2N2 — CID 118227525

IUPAC9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)CCNC2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2/c1-13-3-6-20-17(9-13)16-7-8-24-11-21(16)25(20)12-14(2)15-4-5-18(22)19(23)10-15/h3-6,9-10,12,24H,7-8,11H2,1-2H3/b14-12+
InChIKeyQWTBVTMUPJANTQ-WYMLVPIESA-N
MW371.31 g/mol
LogP5.92
Rot. Bonds2

About 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 118227525) has the molecular formula C21H20Cl2N2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID118227525
Molecular FormulaC21H20Cl2N2
Molecular Weight371.31 g/mol
Exact Mass370.10
IUPAC Name9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)CCNC2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2/c1-13-3-6-20-17(9-13)16-7-8-24-11-21(16)25(20)12-14(2)15-4-5-18(22)19(23)10-15/h3-6,9-10,12,24H,7-8,11H2,1-2H3/b14-12+
InChIKeyQWTBVTMUPJANTQ-WYMLVPIESA-N
XLogP5.92
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 118227525) is 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CCNC2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is QWTBVTMUPJANTQ-WYMLVPIESA-N. The full InChI is InChI=1S/C21H20Cl2N2/c1-13-3-6-20-17(9-13)16-7-8-24-11-21(16)25(20)12-14(2)15-4-5-18(22)19(23)10-15/h3-6,9-10,12,24H,7-8,11H2,1-2H3/b14-12+.
What are the key properties of 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 371.31 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 118227525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).