7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine

C26H22N4O2 — CID 91586457

IUPAC7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine
SMILESCc1cc(C)c2ccc(Oc3ccc(Oc4ccc5c(C)cc(C)nc5n4)cc3)nc2n1
InChIInChI=1S/C26H22N4O2/c1-15-13-17(3)27-25-21(15)9-11-23(29-25)31-19-5-7-20(8-6-19)32-24-12-10-22-16(2)14-18(4)28-26(22)30-24/h5-14H,1-4H3
InChIKeyURUXATMCHOFPAO-UHFFFAOYSA-N
MW422.49 g/mol
LogP6.39
Rot. Bonds4

About 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine

7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine (PubChem CID 91586457) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine.

Molecular Properties

Compound Name7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine
PubChem CID91586457
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine
SMILESCc1cc(C)c2ccc(Oc3ccc(Oc4ccc5c(C)cc(C)nc5n4)cc3)nc2n1
InChIInChI=1S/C26H22N4O2/c1-15-13-17(3)27-25-21(15)9-11-23(29-25)31-19-5-7-20(8-6-19)32-24-12-10-22-16(2)14-18(4)28-26(22)30-24/h5-14H,1-4H3
InChIKeyURUXATMCHOFPAO-UHFFFAOYSA-N
XLogP6.39
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine?
The IUPAC name of 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine (CID 91586457) is 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine.
What is the SMILES notation for 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine?
The canonical SMILES for 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine is Cc1cc(C)c2ccc(Oc3ccc(Oc4ccc5c(C)cc(C)nc5n4)cc3)nc2n1.
What is the InChIKey of 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine?
The InChIKey is URUXATMCHOFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-15-13-17(3)27-25-21(15)9-11-23(29-25)31-19-5-7-20(8-6-19)32-24-12-10-22-16(2)14-18(4)28-26(22)30-24/h5-14H,1-4H3.
What are the key properties of 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine?
7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine has a molecular weight of 422.49 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(5,7-dimethyl-1,8-naphthyridin-2-yl)oxy]phenoxy]-2,4-dimethyl-1,8-naphthyridine is sourced from PubChem (CID 91586457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).