(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one

C10H12N2O3 — CID 59627133

IUPAC(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1C[C@H](N)C(=O)N2O
InChIInChI=1S/C10H12N2O3/c1-15-9-4-2-3-8-6(9)5-7(11)10(13)12(8)14/h2-4,7,14H,5,11H2,1H3/t7-/m0/s1
InChIKeyPJCDQRSYTXZUTI-ZETCQYMHSA-N
MW208.22 g/mol
LogP0.30
Rot. Bonds1

About (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one (PubChem CID 59627133) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
PubChem CID59627133
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1C[C@H](N)C(=O)N2O
InChIInChI=1S/C10H12N2O3/c1-15-9-4-2-3-8-6(9)5-7(11)10(13)12(8)14/h2-4,7,14H,5,11H2,1H3/t7-/m0/s1
InChIKeyPJCDQRSYTXZUTI-ZETCQYMHSA-N
XLogP0.30
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.30
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-5-methoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one (CID 59627133) is (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one is COc1cccc2c1C[C@H](N)C(=O)N2O.
What is the InChIKey of (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one?
The InChIKey is PJCDQRSYTXZUTI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-9-4-2-3-8-6(9)5-7(11)10(13)12(8)14/h2-4,7,14H,5,11H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.30, 1 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-5-methoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 59627133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).