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

C19H15Cl3N2O4 — CID 146474786

IUPAC7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3n(C3COC3)c2=O)c1Cl
InChIInChI=1S/C19H15Cl3N2O4/c1-26-13-5-14(27-2)18(22)16(17(13)21)11-3-9-6-23-15(20)4-12(9)24(19(11)25)10-7-28-8-10/h3-6,10H,7-8H2,1-2H3
InChIKeyRPAJVMHYBCKBCT-UHFFFAOYSA-N
MW441.70 g/mol
LogP4.61
Rot. Bonds4

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

7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one (PubChem CID 146474786) has the molecular formula C19H15Cl3N2O4 and a molecular weight of 441.70 g/mol. Its IUPAC name is 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
PubChem CID146474786
Molecular FormulaC19H15Cl3N2O4
Molecular Weight441.70 g/mol
Exact Mass440.01
IUPAC Name7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3n(C3COC3)c2=O)c1Cl
InChIInChI=1S/C19H15Cl3N2O4/c1-26-13-5-14(27-2)18(22)16(17(13)21)11-3-9-6-23-15(20)4-12(9)24(19(11)25)10-7-28-8-10/h3-6,10H,7-8H2,1-2H3
InChIKeyRPAJVMHYBCKBCT-UHFFFAOYSA-N
XLogP4.61
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.70
LogP ≤ 54.61
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-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one (CID 146474786) is 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one is COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3n(C3COC3)c2=O)c1Cl.
What is the InChIKey of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
The InChIKey is RPAJVMHYBCKBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O4/c1-26-13-5-14(27-2)18(22)16(17(13)21)11-3-9-6-23-15(20)4-12(9)24(19(11)25)10-7-28-8-10/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one?
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one has a molecular weight of 441.70 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 146474786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).