7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole

C26H20Cl2N2O — CID 122178017

IUPAC7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
SMILESCc1nccc2c3ccc(OCc4ccc(Cl)cc4)cc3n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-29-17)23-11-10-22(31-16-19-4-8-21(28)9-5-19)14-25(23)30(26)15-18-2-6-20(27)7-3-18/h2-14H,15-16H2,1H3
InChIKeyTXTYPHUZJRRWDS-UHFFFAOYSA-N
MW447.37 g/mol
LogP7.43
Rot. Bonds5

About 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole

7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole (PubChem CID 122178017) has the molecular formula C26H20Cl2N2O and a molecular weight of 447.37 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
PubChem CID122178017
Molecular FormulaC26H20Cl2N2O
Molecular Weight447.37 g/mol
Exact Mass446.10
IUPAC Name7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
SMILESCc1nccc2c3ccc(OCc4ccc(Cl)cc4)cc3n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-29-17)23-11-10-22(31-16-19-4-8-21(28)9-5-19)14-25(23)30(26)15-18-2-6-20(27)7-3-18/h2-14H,15-16H2,1H3
InChIKeyTXTYPHUZJRRWDS-UHFFFAOYSA-N
XLogP7.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.37
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[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 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole (CID 122178017) is 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole is Cc1nccc2c3ccc(OCc4ccc(Cl)cc4)cc3n(Cc3ccc(Cl)cc3)c12.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is TXTYPHUZJRRWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O/c1-17-26-24(12-13-29-17)23-11-10-22(31-16-19-4-8-21(28)9-5-19)14-25(23)30(26)15-18-2-6-20(27)7-3-18/h2-14H,15-16H2,1H3.
What are the key properties of 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 447.37 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 122178017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).