1,2-dihydroquinoline-3-carbaldehyde

C10H9NO — CID 87846948

IUPAC1,2-dihydroquinoline-3-carbaldehyde
SMILESO=CC1=Cc2ccccc2NC1
InChIInChI=1S/C10H9NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-5,7,11H,6H2
InChIKeyZTVILFGCSUSCKF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.69
Rot. Bonds1

About 1,2-dihydroquinoline-3-carbaldehyde

1,2-dihydroquinoline-3-carbaldehyde (PubChem CID 87846948) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,2-dihydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1,2-dihydroquinoline-3-carbaldehyde
PubChem CID87846948
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1,2-dihydroquinoline-3-carbaldehyde
SMILESO=CC1=Cc2ccccc2NC1
InChIInChI=1S/C10H9NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-5,7,11H,6H2
InChIKeyZTVILFGCSUSCKF-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dihydroquinoline-3-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 1,2-dihydroquinoline-3-carbaldehyde?
The IUPAC name of 1,2-dihydroquinoline-3-carbaldehyde (CID 87846948) is 1,2-dihydroquinoline-3-carbaldehyde.
What is the SMILES notation for 1,2-dihydroquinoline-3-carbaldehyde?
The canonical SMILES for 1,2-dihydroquinoline-3-carbaldehyde is O=CC1=Cc2ccccc2NC1.
What is the InChIKey of 1,2-dihydroquinoline-3-carbaldehyde?
The InChIKey is ZTVILFGCSUSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-5,7,11H,6H2.
What are the key properties of 1,2-dihydroquinoline-3-carbaldehyde?
1,2-dihydroquinoline-3-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroquinoline-3-carbaldehyde is sourced from PubChem (CID 87846948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).