(3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one

C17H18N2O3 — CID 59627033

IUPAC(3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1Cc1ccccc1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C17H18N2O3/c1-22-16-10-15-12(9-14(18)17(20)19(15)21)8-13(16)7-11-5-3-2-4-6-11/h2-6,8,10,14,21H,7,9,18H2,1H3/t14-/m0/s1
InChIKeyVVJIMJXLYKGRIQ-AWEZNQCLSA-N
MW298.34 g/mol
LogP1.89
Rot. Bonds3

About (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one (PubChem CID 59627033) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one
PubChem CID59627033
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1Cc1ccccc1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C17H18N2O3/c1-22-16-10-15-12(9-14(18)17(20)19(15)21)8-13(16)7-11-5-3-2-4-6-11/h2-6,8,10,14,21H,7,9,18H2,1H3/t14-/m0/s1
InChIKeyVVJIMJXLYKGRIQ-AWEZNQCLSA-N
XLogP1.89
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.89
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-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one (CID 59627033) is (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one is COc1cc2c(cc1Cc1ccccc1)C[C@H](N)C(=O)N2O.
What is the InChIKey of (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one?
The InChIKey is VVJIMJXLYKGRIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-16-10-15-12(9-14(18)17(20)19(15)21)8-13(16)7-11-5-3-2-4-6-11/h2-6,8,10,14,21H,7,9,18H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one has a molecular weight of 298.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 59627033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).