1-(quinolin-2-ylmethyl)indole-4-carbaldehyde

C19H14N2O — CID 18973297

IUPAC1-(quinolin-2-ylmethyl)indole-4-carbaldehyde
SMILESO=Cc1cccc2c1ccn2Cc1ccc2ccccc2n1
InChIInChI=1S/C19H14N2O/c22-13-15-5-3-7-19-17(15)10-11-21(19)12-16-9-8-14-4-1-2-6-18(14)20-16/h1-11,13H,12H2
InChIKeyGBFAHULSMVOILM-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.05
Rot. Bonds3

About 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde

1-(quinolin-2-ylmethyl)indole-4-carbaldehyde (PubChem CID 18973297) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde.

Molecular Properties

Compound Name1-(quinolin-2-ylmethyl)indole-4-carbaldehyde
PubChem CID18973297
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name1-(quinolin-2-ylmethyl)indole-4-carbaldehyde
SMILESO=Cc1cccc2c1ccn2Cc1ccc2ccccc2n1
InChIInChI=1S/C19H14N2O/c22-13-15-5-3-7-19-17(15)10-11-21(19)12-16-9-8-14-4-1-2-6-18(14)20-16/h1-11,13H,12H2
InChIKeyGBFAHULSMVOILM-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde 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 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde?
The IUPAC name of 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde (CID 18973297) is 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde.
What is the SMILES notation for 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde?
The canonical SMILES for 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde is O=Cc1cccc2c1ccn2Cc1ccc2ccccc2n1.
What is the InChIKey of 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde?
The InChIKey is GBFAHULSMVOILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-13-15-5-3-7-19-17(15)10-11-21(19)12-16-9-8-14-4-1-2-6-18(14)20-16/h1-11,13H,12H2.
What are the key properties of 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde?
1-(quinolin-2-ylmethyl)indole-4-carbaldehyde has a molecular weight of 286.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-2-ylmethyl)indole-4-carbaldehyde is sourced from PubChem (CID 18973297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).