9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole

C18H13ClN2 — CID 141321511

IUPAC9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
SMILESClc1cccc(Cn2c3ccccc3c3ccncc32)c1
InChIInChI=1S/C18H13ClN2/c19-14-5-3-4-13(10-14)12-21-17-7-2-1-6-15(17)16-8-9-20-11-18(16)21/h1-11H,12H2
InChIKeyFVJXBRISEWBDII-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.89
Rot. Bonds2

About 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole

9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole (PubChem CID 141321511) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
PubChem CID141321511
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
SMILESClc1cccc(Cn2c3ccccc3c3ccncc32)c1
InChIInChI=1S/C18H13ClN2/c19-14-5-3-4-13(10-14)12-21-17-7-2-1-6-15(17)16-8-9-20-11-18(16)21/h1-11H,12H2
InChIKeyFVJXBRISEWBDII-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[(3-chlorophenyl)methyl]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 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole (CID 141321511) is 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole is Clc1cccc(Cn2c3ccccc3c3ccncc32)c1.
What is the InChIKey of 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole?
The InChIKey is FVJXBRISEWBDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2/c19-14-5-3-4-13(10-14)12-21-17-7-2-1-6-15(17)16-8-9-20-11-18(16)21/h1-11H,12H2.
What are the key properties of 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole?
9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole has a molecular weight of 292.77 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole is sourced from PubChem (CID 141321511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).