(3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one

C13H16N2O4 — CID 68782303

IUPAC(3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2ccc(O[C@H]3CCOC3)cc2N(O)C1=O
InChIInChI=1S/C13H16N2O4/c14-11-5-8-1-2-9(19-10-3-4-18-7-10)6-12(8)15(17)13(11)16/h1-2,6,10-11,17H,3-5,7,14H2/t10-,11-/m0/s1
InChIKeyXQOQMTRPFOKXMT-QWRGUYRKSA-N
MW264.28 g/mol
LogP0.46
Rot. Bonds2

About (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one (PubChem CID 68782303) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one
PubChem CID68782303
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2ccc(O[C@H]3CCOC3)cc2N(O)C1=O
InChIInChI=1S/C13H16N2O4/c14-11-5-8-1-2-9(19-10-3-4-18-7-10)6-12(8)15(17)13(11)16/h1-2,6,10-11,17H,3-5,7,14H2/t10-,11-/m0/s1
InChIKeyXQOQMTRPFOKXMT-QWRGUYRKSA-N
XLogP0.46
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

Carteolol
CID 2583
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 23454034
7-(Benzyloxy)-3,4-dihydrocarbostyril
CID 44362531
(3S)-3-amino-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one
CID 53254526
(3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one
CID 59627033
(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one
CID 59627101
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133
(-)-Carteolol
CID 6604410
7-(4-bromobutoxy)-3,4-dihydro-2(1H)-quinolinone
CID 10542064
7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11794899
(3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one
CID 71717990

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one (CID 68782303) is (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one is N[C@H]1Cc2ccc(O[C@H]3CCOC3)cc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one?
The InChIKey is XQOQMTRPFOKXMT-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-11-5-8-1-2-9(19-10-3-4-18-7-10)6-12(8)15(17)13(11)16/h1-2,6,10-11,17H,3-5,7,14H2/t10-,11-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one has a molecular weight of 264.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68782303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).