(3S)-3-amino-3-quinolin-2-ylpropan-1-ol

C12H14N2O — CID 96860354

IUPAC(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
SMILESN[C@@H](CCO)c1ccc2ccccc2n1
InChIInChI=1S/C12H14N2O/c13-10(7-8-15)12-6-5-9-3-1-2-4-11(9)14-12/h1-6,10,15H,7-8,13H2/t10-/m0/s1
InChIKeyFLHDAEVHGAJPQC-JTQLQIEISA-N
MW202.26 g/mol
LogP1.62
Rot. Bonds3

About (3S)-3-amino-3-quinolin-2-ylpropan-1-ol

(3S)-3-amino-3-quinolin-2-ylpropan-1-ol (PubChem CID 96860354) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3S)-3-amino-3-quinolin-2-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
PubChem CID96860354
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
SMILESN[C@@H](CCO)c1ccc2ccccc2n1
InChIInChI=1S/C12H14N2O/c13-10(7-8-15)12-6-5-9-3-1-2-4-11(9)14-12/h1-6,10,15H,7-8,13H2/t10-/m0/s1
InChIKeyFLHDAEVHGAJPQC-JTQLQIEISA-N
XLogP1.62
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
4-amino-3-quinolin-2-ylbutan-1-ol
CID 66089092
amino(quinolin-2-yl)methanol
CID 154237779
1-quinolin-2-yloctan-1-amine
CID 63222846
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
3-amino-3-(6-amino-2-pyridinyl)propan-1-ol
CID 55292973
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
4-amino-1-quinolin-2-ylbutane-1,2-diol
CID 171881473
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-quinolin-2-ylpropan-1-ol?
The IUPAC name of (3S)-3-amino-3-quinolin-2-ylpropan-1-ol (CID 96860354) is (3S)-3-amino-3-quinolin-2-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-quinolin-2-ylpropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-quinolin-2-ylpropan-1-ol is N[C@@H](CCO)c1ccc2ccccc2n1.
What is the InChIKey of (3S)-3-amino-3-quinolin-2-ylpropan-1-ol?
The InChIKey is FLHDAEVHGAJPQC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O/c13-10(7-8-15)12-6-5-9-3-1-2-4-11(9)14-12/h1-6,10,15H,7-8,13H2/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3-quinolin-2-ylpropan-1-ol?
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol has a molecular weight of 202.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-quinolin-2-ylpropan-1-ol is sourced from PubChem (CID 96860354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).