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

C21H20ClFN2 — CID 66911702

IUPAC6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC(=Cn1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2/c1-14(15-3-6-17(23)7-4-15)12-25-20-8-5-16(22)11-19(20)18-9-10-24(2)13-21(18)25/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyWFNFHIMGYOFYNR-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.44
Rot. Bonds2

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

6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 66911702) has the molecular formula C21H20ClFN2 and a molecular weight of 354.86 g/mol. Its IUPAC name is 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID66911702
Molecular FormulaC21H20ClFN2
Molecular Weight354.86 g/mol
Exact Mass354.13
IUPAC Name6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC(=Cn1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2/c1-14(15-3-6-17(23)7-4-15)12-25-20-8-5-16(22)11-19(20)18-9-10-24(2)13-21(18)25/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyWFNFHIMGYOFYNR-UHFFFAOYSA-N
XLogP5.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[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 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 66911702) is 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole is CC(=Cn1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is WFNFHIMGYOFYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2/c1-14(15-3-6-17(23)7-4-15)12-25-20-8-5-16(22)11-19(20)18-9-10-24(2)13-21(18)25/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 354.86 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 66911702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).