2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde

C15H16N2O2 — CID 54995444

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1N(CCO)C1CC1
InChIInChI=1S/C15H16N2O2/c18-8-7-17(13-5-6-13)15-12(10-19)9-11-3-1-2-4-14(11)16-15/h1-4,9-10,13,18H,5-8H2
InChIKeySBRGONAPANMXCY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.01
Rot. Bonds5

About 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde

2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde (PubChem CID 54995444) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
PubChem CID54995444
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1N(CCO)C1CC1
InChIInChI=1S/C15H16N2O2/c18-8-7-17(13-5-6-13)15-12(10-19)9-11-3-1-2-4-14(11)16-15/h1-4,9-10,13,18H,5-8H2
InChIKeySBRGONAPANMXCY-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-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 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde (CID 54995444) is 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde is O=Cc1cc2ccccc2nc1N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde?
The InChIKey is SBRGONAPANMXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-8-7-17(13-5-6-13)15-12(10-19)9-11-3-1-2-4-14(11)16-15/h1-4,9-10,13,18H,5-8H2.
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde?
2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde has a molecular weight of 256.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde is sourced from PubChem (CID 54995444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).