4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine

C20H18Cl3N3O3 — CID 135181397

IUPAC4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3c(N3CCOCC3)n2)c1Cl
InChIInChI=1S/C20H18Cl3N3O3/c1-27-14-9-15(28-2)19(23)17(18(14)22)13-7-11-10-24-16(21)8-12(11)20(25-13)26-3-5-29-6-4-26/h7-10H,3-6H2,1-2H3
InChIKeyGFAIOWWGQRKCBH-UHFFFAOYSA-N
MW454.74 g/mol
LogP5.11
Rot. Bonds4

About 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine

4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine (PubChem CID 135181397) has the molecular formula C20H18Cl3N3O3 and a molecular weight of 454.74 g/mol. Its IUPAC name is 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
PubChem CID135181397
Molecular FormulaC20H18Cl3N3O3
Molecular Weight454.74 g/mol
Exact Mass453.04
IUPAC Name4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3c(N3CCOCC3)n2)c1Cl
InChIInChI=1S/C20H18Cl3N3O3/c1-27-14-9-15(28-2)19(23)17(18(14)22)13-7-11-10-24-16(21)8-12(11)20(25-13)26-3-5-29-6-4-26/h7-10H,3-6H2,1-2H3
InChIKeyGFAIOWWGQRKCBH-UHFFFAOYSA-N
XLogP5.11
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 55.11
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 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine?
The IUPAC name of 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine (CID 135181397) is 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine?
The canonical SMILES for 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine is COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3c(N3CCOCC3)n2)c1Cl.
What is the InChIKey of 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine?
The InChIKey is GFAIOWWGQRKCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O3/c1-27-14-9-15(28-2)19(23)17(18(14)22)13-7-11-10-24-16(21)8-12(11)20(25-13)26-3-5-29-6-4-26/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine?
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine has a molecular weight of 454.74 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine is sourced from PubChem (CID 135181397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).