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

C16H16N2O4 — CID 71717990

IUPAC(3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1
InChIKeyHAJSIZYRDXXXND-LBPRGKRZSA-N
MW300.31 g/mol
LogP2.09
Rot. Bonds3

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

(3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one (PubChem CID 71717990) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one
PubChem CID71717990
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1
InChIKeyHAJSIZYRDXXXND-LBPRGKRZSA-N
XLogP2.09
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one (CID 71717990) is (3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one is COc1cc2c(cc1Oc1ccccc1)C[C@H](N)C(=O)N2O.
What is the InChIKey of (3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one?
The InChIKey is HAJSIZYRDXXXND-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-1-hydroxy-7-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one has a molecular weight of 300.31 g/mol, XLogP of 2.09, 3 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-methoxy-6-phenoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 71717990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).