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

C14H16ClN3O2 — CID 126601726

IUPAC4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine
SMILESCOc1ccc2c(Cl)cc(N3CCOCC3C)nc2n1
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(15)10-3-4-13(19-2)17-14(10)16-12/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyNDTMNYOZWMATCW-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.52
Rot. Bonds2

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

4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine (PubChem CID 126601726) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine
PubChem CID126601726
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine
SMILESCOc1ccc2c(Cl)cc(N3CCOCC3C)nc2n1
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(15)10-3-4-13(19-2)17-14(10)16-12/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyNDTMNYOZWMATCW-UHFFFAOYSA-N
XLogP2.52
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
The IUPAC name of 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine (CID 126601726) is 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
The canonical SMILES for 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine is COc1ccc2c(Cl)cc(N3CCOCC3C)nc2n1.
What is the InChIKey of 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
The InChIKey is NDTMNYOZWMATCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(15)10-3-4-13(19-2)17-14(10)16-12/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine has a molecular weight of 293.75 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine is sourced from PubChem (CID 126601726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).