3-phenyl-2-(quinolin-2-ylamino)propanal

C18H16N2O — CID 155204374

IUPAC3-phenyl-2-(quinolin-2-ylamino)propanal
SMILESO=CC(Cc1ccccc1)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H16N2O/c21-13-16(12-14-6-2-1-3-7-14)19-18-11-10-15-8-4-5-9-17(15)20-18/h1-11,13,16H,12H2,(H,19,20)
InChIKeyMGLZIXMORAORBJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.46
Rot. Bonds5

About 3-phenyl-2-(quinolin-2-ylamino)propanal

3-phenyl-2-(quinolin-2-ylamino)propanal (PubChem CID 155204374) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-phenyl-2-(quinolin-2-ylamino)propanal.

Molecular Properties

Compound Name3-phenyl-2-(quinolin-2-ylamino)propanal
PubChem CID155204374
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-phenyl-2-(quinolin-2-ylamino)propanal
SMILESO=CC(Cc1ccccc1)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H16N2O/c21-13-16(12-14-6-2-1-3-7-14)19-18-11-10-15-8-4-5-9-17(15)20-18/h1-11,13,16H,12H2,(H,19,20)
InChIKeyMGLZIXMORAORBJ-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.46
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

N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
N-[1-(4-fluorophenyl)propan-2-yl]quinolin-2-amine
CID 63541693
2-(ethylamino)-3-phenylpropanal
CID 3325220
(E)-but-2-enedioic acid;N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-(quinolin-2-ylsulfanylmethyl)benzamide
CID 159165847
N-(2-phenylethyl)quinolin-2-amine
CID 29300407
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
CID 54495250
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
CID 113260886
N-(2-phenyl-1-quinolin-2-ylethyl)propan-1-amine
CID 63222770

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(quinolin-2-ylamino)propanal?
The IUPAC name of 3-phenyl-2-(quinolin-2-ylamino)propanal (CID 155204374) is 3-phenyl-2-(quinolin-2-ylamino)propanal.
What is the SMILES notation for 3-phenyl-2-(quinolin-2-ylamino)propanal?
The canonical SMILES for 3-phenyl-2-(quinolin-2-ylamino)propanal is O=CC(Cc1ccccc1)Nc1ccc2ccccc2n1.
What is the InChIKey of 3-phenyl-2-(quinolin-2-ylamino)propanal?
The InChIKey is MGLZIXMORAORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-13-16(12-14-6-2-1-3-7-14)19-18-11-10-15-8-4-5-9-17(15)20-18/h1-11,13,16H,12H2,(H,19,20).
What are the key properties of 3-phenyl-2-(quinolin-2-ylamino)propanal?
3-phenyl-2-(quinolin-2-ylamino)propanal has a molecular weight of 276.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(quinolin-2-ylamino)propanal is sourced from PubChem (CID 155204374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).