(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen

C12H14N2O — CID 145052892

IUPAC(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen
SMILESN[C@H](C=O)Cc1ccc2ccccc2n1.[H][H]
InChIInChI=1S/C12H12N2O.H2/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11;/h1-6,8,10H,7,13H2;1H/t10-;/m0./s1
InChIKeyLYPXMTCEDTYFEL-PPHPATTJSA-N
MW202.26 g/mol
LogP1.55
Rot. Bonds3

About (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen

(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen (PubChem CID 145052892) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen
PubChem CID145052892
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen
SMILESN[C@H](C=O)Cc1ccc2ccccc2n1.[H][H]
InChIInChI=1S/C12H12N2O.H2/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11;/h1-6,8,10H,7,13H2;1H/t10-;/m0./s1
InChIKeyLYPXMTCEDTYFEL-PPHPATTJSA-N
XLogP1.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.55
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
CID 18667095
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
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
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-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine
CID 116661388
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen?
The IUPAC name of (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen (CID 145052892) is (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen.
What is the SMILES notation for (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen?
The canonical SMILES for (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen is N[C@H](C=O)Cc1ccc2ccccc2n1.[H][H].
What is the InChIKey of (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen?
The InChIKey is LYPXMTCEDTYFEL-PPHPATTJSA-N. The full InChI is InChI=1S/C12H12N2O.H2/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11;/h1-6,8,10H,7,13H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen?
(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen has a molecular weight of 202.26 g/mol, XLogP of 1.55, 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;molecular hydrogen is sourced from PubChem (CID 145052892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).