(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one

C15H12ClFN2O3 — CID 68780134

IUPAC(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3cc(F)cc(Cl)c3)ccc2N(O)C1=O
InChIInChI=1S/C15H12ClFN2O3/c16-9-5-10(17)7-12(6-9)22-11-1-2-14-8(3-11)4-13(18)15(20)19(14)21/h1-3,5-7,13,21H,4,18H2/t13-/m0/s1
InChIKeyHKBNHAITBLJHNH-ZDUSSCGKSA-N
MW322.72 g/mol
LogP2.88
Rot. Bonds2

About (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 68780134) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID68780134
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Oc3cc(F)cc(Cl)c3)ccc2N(O)C1=O
InChIInChI=1S/C15H12ClFN2O3/c16-9-5-10(17)7-12(6-9)22-11-1-2-14-8(3-11)4-13(18)15(20)19(14)21/h1-3,5-7,13,21H,4,18H2/t13-/m0/s1
InChIKeyHKBNHAITBLJHNH-ZDUSSCGKSA-N
XLogP2.88
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.88
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-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one (CID 68780134) is (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cc(Oc3cc(F)cc(Cl)c3)ccc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is HKBNHAITBLJHNH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-9-5-10(17)7-12(6-9)22-11-1-2-14-8(3-11)4-13(18)15(20)19(14)21/h1-3,5-7,13,21H,4,18H2/t13-/m0/s1.
What are the key properties of (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 322.72 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68780134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).