[3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol

C25H20N2O — CID 162646971

IUPAC[3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol
SMILESCc1cc(-c2cccc(-c3cn(CO)c4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C25H20N2O/c1-17-13-22(20-9-2-4-11-24(20)26-17)18-7-6-8-19(14-18)23-15-27(16-28)25-12-5-3-10-21(23)25/h2-15,28H,16H2,1H3
InChIKeyRUBRMFNRKKOPQE-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.78
Rot. Bonds3

About [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol

[3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol (PubChem CID 162646971) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol.

Molecular Properties

Compound Name[3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol
PubChem CID162646971
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name[3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol
SMILESCc1cc(-c2cccc(-c3cn(CO)c4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C25H20N2O/c1-17-13-22(20-9-2-4-11-24(20)26-17)18-7-6-8-19(14-18)23-15-27(16-28)25-12-5-3-10-21(23)25/h2-15,28H,16H2,1H3
InChIKeyRUBRMFNRKKOPQE-UHFFFAOYSA-N
XLogP5.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol 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 [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol?
The IUPAC name of [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol (CID 162646971) is [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol.
What is the SMILES notation for [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol?
The canonical SMILES for [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol is Cc1cc(-c2cccc(-c3cn(CO)c4ccccc34)c2)c2ccccc2n1.
What is the InChIKey of [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol?
The InChIKey is RUBRMFNRKKOPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-17-13-22(20-9-2-4-11-24(20)26-17)18-7-6-8-19(14-18)23-15-27(16-28)25-12-5-3-10-21(23)25/h2-15,28H,16H2,1H3.
What are the key properties of [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol?
[3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol has a molecular weight of 364.45 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylquinolin-4-yl)phenyl]indol-1-yl]methanol is sourced from PubChem (CID 162646971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).