(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one

C14H11ClFN3O3 — CID 68782306

IUPAC(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one
SMILESN[C@H]1Cc2cc(Oc3cc(F)cc(Cl)c3)cnc2N(O)C1=O
InChIInChI=1S/C14H11ClFN3O3/c15-8-3-9(16)5-10(4-8)22-11-1-7-2-12(17)14(20)19(21)13(7)18-6-11/h1,3-6,12,21H,2,17H2/t12-/m0/s1
InChIKeyMOHILKDVEDQUGL-LBPRGKRZSA-N
MW323.71 g/mol
LogP2.27
Rot. Bonds2

About (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one

(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 68782306) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID68782306
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC Name(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one
SMILESN[C@H]1Cc2cc(Oc3cc(F)cc(Cl)c3)cnc2N(O)C1=O
InChIInChI=1S/C14H11ClFN3O3/c15-8-3-9(16)5-10(4-8)22-11-1-7-2-12(17)14(20)19(21)13(7)18-6-11/h1,3-6,12,21H,2,17H2/t12-/m0/s1
InChIKeyMOHILKDVEDQUGL-LBPRGKRZSA-N
XLogP2.27
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one (CID 68782306) is (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one is N[C@H]1Cc2cc(Oc3cc(F)cc(Cl)c3)cnc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is MOHILKDVEDQUGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c15-8-3-9(16)5-10(4-8)22-11-1-7-2-12(17)14(20)19(21)13(7)18-6-11/h1,3-6,12,21H,2,17H2/t12-/m0/s1.
What are the key properties of (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one?
(3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 323.71 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-(3-chloro-5-fluorophenoxy)-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 68782306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).