(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one

C15H14N2O3 — CID 59627101

IUPAC(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O
InChIInChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1
InChIKeyCOBQSWIQOSRUIK-ZDUSSCGKSA-N
MW270.29 g/mol
LogP2.08
Rot. Bonds2

About (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one (PubChem CID 59627101) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one
PubChem CID59627101
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O
InChIInChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1
InChIKeyCOBQSWIQOSRUIK-ZDUSSCGKSA-N
XLogP2.08
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one (CID 59627101) is (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one?
The InChIKey is COBQSWIQOSRUIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 59627101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).