(2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one

C12H14N2O — CID 173379473

IUPAC(2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one
SMILESC[C@H](N)C(=O)C1=CNc2ccccc2C1
InChIInChI=1S/C12H14N2O/c1-8(13)12(15)10-6-9-4-2-3-5-11(9)14-7-10/h2-5,7-8,14H,6,13H2,1H3/t8-/m0/s1
InChIKeyHGACAYNPGSNEGS-QMMMGPOBSA-N
MW202.26 g/mol
LogP1.45
Rot. Bonds2

About (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one

(2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one (PubChem CID 173379473) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one
PubChem CID173379473
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one
SMILESC[C@H](N)C(=O)C1=CNc2ccccc2C1
InChIInChI=1S/C12H14N2O/c1-8(13)12(15)10-6-9-4-2-3-5-11(9)14-7-10/h2-5,7-8,14H,6,13H2,1H3/t8-/m0/s1
InChIKeyHGACAYNPGSNEGS-QMMMGPOBSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one (CID 173379473) is (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one is C[C@H](N)C(=O)C1=CNc2ccccc2C1.
What is the InChIKey of (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one?
The InChIKey is HGACAYNPGSNEGS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(13)12(15)10-6-9-4-2-3-5-11(9)14-7-10/h2-5,7-8,14H,6,13H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one?
(2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one has a molecular weight of 202.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,4-dihydroquinolin-3-yl)propan-1-one is sourced from PubChem (CID 173379473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).