9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole

C20H19ClN2O — CID 162644343

IUPAC9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole
SMILESCOc1cccc2c1c1c(n2Cc2ccc(Cl)cc2)C(C)=NCC1
InChIInChI=1S/C20H19ClN2O/c1-13-20-16(10-11-22-13)19-17(4-3-5-18(19)24-2)23(20)12-14-6-8-15(21)9-7-14/h3-9H,10-12H2,1-2H3
InChIKeyKETUJLZELRHHIS-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.72
Rot. Bonds3

About 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole

9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole (PubChem CID 162644343) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole
PubChem CID162644343
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole
SMILESCOc1cccc2c1c1c(n2Cc2ccc(Cl)cc2)C(C)=NCC1
InChIInChI=1S/C20H19ClN2O/c1-13-20-16(10-11-22-13)19-17(4-3-5-18(19)24-2)23(20)12-14-6-8-15(21)9-7-14/h3-9H,10-12H2,1-2H3
InChIKeyKETUJLZELRHHIS-UHFFFAOYSA-N
XLogP4.72
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[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-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole (CID 162644343) is 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole is COc1cccc2c1c1c(n2Cc2ccc(Cl)cc2)C(C)=NCC1.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
The InChIKey is KETUJLZELRHHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-13-20-16(10-11-22-13)19-17(4-3-5-18(19)24-2)23(20)12-14-6-8-15(21)9-7-14/h3-9H,10-12H2,1-2H3.
What are the key properties of 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole has a molecular weight of 338.84 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole is sourced from PubChem (CID 162644343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).