2-(8-aminoquinolin-4-yl)acetaldehyde

C11H10N2O — CID 174157717

IUPAC2-(8-aminoquinolin-4-yl)acetaldehyde
SMILESNc1cccc2c(CC=O)ccnc12
InChIInChI=1S/C11H10N2O/c12-10-3-1-2-9-8(5-7-14)4-6-13-11(9)10/h1-4,6-7H,5,12H2
InChIKeyCSDXPYLGWNAJLL-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.56
Rot. Bonds2

About 2-(8-aminoquinolin-4-yl)acetaldehyde

2-(8-aminoquinolin-4-yl)acetaldehyde (PubChem CID 174157717) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(8-aminoquinolin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-aminoquinolin-4-yl)acetaldehyde
PubChem CID174157717
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(8-aminoquinolin-4-yl)acetaldehyde
SMILESNc1cccc2c(CC=O)ccnc12
InChIInChI=1S/C11H10N2O/c12-10-3-1-2-9-8(5-7-14)4-6-13-11(9)10/h1-4,6-7H,5,12H2
InChIKeyCSDXPYLGWNAJLL-UHFFFAOYSA-N
XLogP1.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-4-yl)acetaldehyde?
The IUPAC name of 2-(8-aminoquinolin-4-yl)acetaldehyde (CID 174157717) is 2-(8-aminoquinolin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(8-aminoquinolin-4-yl)acetaldehyde?
The canonical SMILES for 2-(8-aminoquinolin-4-yl)acetaldehyde is Nc1cccc2c(CC=O)ccnc12.
What is the InChIKey of 2-(8-aminoquinolin-4-yl)acetaldehyde?
The InChIKey is CSDXPYLGWNAJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-10-3-1-2-9-8(5-7-14)4-6-13-11(9)10/h1-4,6-7H,5,12H2.
What are the key properties of 2-(8-aminoquinolin-4-yl)acetaldehyde?
2-(8-aminoquinolin-4-yl)acetaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-4-yl)acetaldehyde is sourced from PubChem (CID 174157717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).