(2S)-2-amino-3-quinolin-2-ylpropanal

C12H12N2O — CID 18667095

IUPAC(2S)-2-amino-3-quinolin-2-ylpropanal
SMILESN[C@H](C=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11/h1-6,8,10H,7,13H2/t10-/m0/s1
InChIKeyWMBPTCPYOYUKMG-JTQLQIEISA-N
MW200.24 g/mol
LogP1.30
Rot. Bonds3

About (2S)-2-amino-3-quinolin-2-ylpropanal

(2S)-2-amino-3-quinolin-2-ylpropanal (PubChem CID 18667095) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-amino-3-quinolin-2-ylpropanal.

Molecular Properties

Compound Name(2S)-2-amino-3-quinolin-2-ylpropanal
PubChem CID18667095
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(2S)-2-amino-3-quinolin-2-ylpropanal
SMILESN[C@H](C=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11/h1-6,8,10H,7,13H2/t10-/m0/s1
InChIKeyWMBPTCPYOYUKMG-JTQLQIEISA-N
XLogP1.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.30
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

(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen
CID 145052892
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
CID 62277076
1-(furan-2-yl)-2-quinolin-2-ylethanamine
CID 43118707
1-(4-fluorophenyl)-2-quinolin-2-ylethanamine
CID 43118778
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327
1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-quinolin-2-ylpropanal?
The IUPAC name of (2S)-2-amino-3-quinolin-2-ylpropanal (CID 18667095) is (2S)-2-amino-3-quinolin-2-ylpropanal.
What is the SMILES notation for (2S)-2-amino-3-quinolin-2-ylpropanal?
The canonical SMILES for (2S)-2-amino-3-quinolin-2-ylpropanal is N[C@H](C=O)Cc1ccc2ccccc2n1.
What is the InChIKey of (2S)-2-amino-3-quinolin-2-ylpropanal?
The InChIKey is WMBPTCPYOYUKMG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2O/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11/h1-6,8,10H,7,13H2/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-quinolin-2-ylpropanal?
(2S)-2-amino-3-quinolin-2-ylpropanal has a molecular weight of 200.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-quinolin-2-ylpropanal is sourced from PubChem (CID 18667095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).