4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine

C13H13Cl2N3O — CID 134446451

IUPAC4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
SMILESCC1COCCN1c1cc(Cl)c2ccnc(Cl)c2n1
InChIInChI=1S/C13H13Cl2N3O/c1-8-7-19-5-4-18(8)11-6-10(14)9-2-3-16-13(15)12(9)17-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyGJRKWQNSPHZOFC-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.16
Rot. Bonds1

About 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine

4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine (PubChem CID 134446451) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
PubChem CID134446451
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
SMILESCC1COCCN1c1cc(Cl)c2ccnc(Cl)c2n1
InChIInChI=1S/C13H13Cl2N3O/c1-8-7-19-5-4-18(8)11-6-10(14)9-2-3-16-13(15)12(9)17-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyGJRKWQNSPHZOFC-UHFFFAOYSA-N
XLogP3.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine?
The IUPAC name of 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine (CID 134446451) is 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine?
The canonical SMILES for 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine is CC1COCCN1c1cc(Cl)c2ccnc(Cl)c2n1.
What is the InChIKey of 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine?
The InChIKey is GJRKWQNSPHZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8-7-19-5-4-18(8)11-6-10(14)9-2-3-16-13(15)12(9)17-11/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine?
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine has a molecular weight of 298.17 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine is sourced from PubChem (CID 134446451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).