7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one

C19H17ClN2O4 — CID 146474784

IUPAC7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)cc(-c2cc3cnc(Cl)cc3n(C3COC3)c2=O)c1
InChIInChI=1S/C19H17ClN2O4/c1-24-14-3-11(4-15(6-14)25-2)16-5-12-8-21-18(20)7-17(12)22(19(16)23)13-9-26-10-13/h3-8,13H,9-10H2,1-2H3
InChIKeyJOLBXTKAVHJCLV-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.31
Rot. Bonds4

About 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one

7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one (PubChem CID 146474784) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
PubChem CID146474784
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)cc(-c2cc3cnc(Cl)cc3n(C3COC3)c2=O)c1
InChIInChI=1S/C19H17ClN2O4/c1-24-14-3-11(4-15(6-14)25-2)16-5-12-8-21-18(20)7-17(12)22(19(16)23)13-9-26-10-13/h3-8,13H,9-10H2,1-2H3
InChIKeyJOLBXTKAVHJCLV-UHFFFAOYSA-N
XLogP3.31
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one (CID 146474784) is 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one is COc1cc(OC)cc(-c2cc3cnc(Cl)cc3n(C3COC3)c2=O)c1.
What is the InChIKey of 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
The InChIKey is JOLBXTKAVHJCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-24-14-3-11(4-15(6-14)25-2)16-5-12-8-21-18(20)7-17(12)22(19(16)23)13-9-26-10-13/h3-8,13H,9-10H2,1-2H3.
What are the key properties of 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one has a molecular weight of 372.81 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 146474784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).