2-(quinolin-3-ylamino)acetaldehyde

C11H10N2O — CID 119094980

IUPAC2-(quinolin-3-ylamino)acetaldehyde
SMILESO=CCNc1cnc2ccccc2c1
InChIInChI=1S/C11H10N2O/c14-6-5-12-10-7-9-3-1-2-4-11(9)13-8-10/h1-4,6-8,12H,5H2
InChIKeyAENKMLWDBMVYIS-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.85
Rot. Bonds3

About 2-(quinolin-3-ylamino)acetaldehyde

2-(quinolin-3-ylamino)acetaldehyde (PubChem CID 119094980) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(quinolin-3-ylamino)acetaldehyde.

Molecular Properties

Compound Name2-(quinolin-3-ylamino)acetaldehyde
PubChem CID119094980
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(quinolin-3-ylamino)acetaldehyde
SMILESO=CCNc1cnc2ccccc2c1
InChIInChI=1S/C11H10N2O/c14-6-5-12-10-7-9-3-1-2-4-11(9)13-8-10/h1-4,6-8,12H,5H2
InChIKeyAENKMLWDBMVYIS-UHFFFAOYSA-N
XLogP1.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
CID 139034507
N-(3-methylbutyl)quinolin-3-amine
CID 43691203
N-[(2-nitrophenyl)methyl]quinolin-3-amine
CID 43691125
N-quinolin-3-ylhydroxylamine
CID 54286324
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-(3-methylsulfanylpropyl)quinolin-3-amine
CID 43691135
N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51508267
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
2-quinolin-3-ylsulfanylacetaldehyde
CID 90732729
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
CID 43691316

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-3-ylamino)acetaldehyde?
The IUPAC name of 2-(quinolin-3-ylamino)acetaldehyde (CID 119094980) is 2-(quinolin-3-ylamino)acetaldehyde.
What is the SMILES notation for 2-(quinolin-3-ylamino)acetaldehyde?
The canonical SMILES for 2-(quinolin-3-ylamino)acetaldehyde is O=CCNc1cnc2ccccc2c1.
What is the InChIKey of 2-(quinolin-3-ylamino)acetaldehyde?
The InChIKey is AENKMLWDBMVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-6-5-12-10-7-9-3-1-2-4-11(9)13-8-10/h1-4,6-8,12H,5H2.
What are the key properties of 2-(quinolin-3-ylamino)acetaldehyde?
2-(quinolin-3-ylamino)acetaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-3-ylamino)acetaldehyde is sourced from PubChem (CID 119094980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).