4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one

C20H20N4O2 — CID 134814167

IUPAC4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one
SMILESCC1NNC(=O)C(C)C1c1ccc(Oc2nccc3cccnc23)cc1
InChIInChI=1S/C20H20N4O2/c1-12-17(13(2)23-24-19(12)25)14-5-7-16(8-6-14)26-20-18-15(9-11-22-20)4-3-10-21-18/h3-13,17,23H,1-2H3,(H,24,25)
InChIKeyNXWDSMNOBMZUCX-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.16
Rot. Bonds3

About 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one

4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one (PubChem CID 134814167) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one
PubChem CID134814167
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one
SMILESCC1NNC(=O)C(C)C1c1ccc(Oc2nccc3cccnc23)cc1
InChIInChI=1S/C20H20N4O2/c1-12-17(13(2)23-24-19(12)25)14-5-7-16(8-6-14)26-20-18-15(9-11-22-20)4-3-10-21-18/h3-13,17,23H,1-2H3,(H,24,25)
InChIKeyNXWDSMNOBMZUCX-UHFFFAOYSA-N
XLogP3.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
The IUPAC name of 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one (CID 134814167) is 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one.
What is the SMILES notation for 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
The canonical SMILES for 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one is CC1NNC(=O)C(C)C1c1ccc(Oc2nccc3cccnc23)cc1.
What is the InChIKey of 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
The InChIKey is NXWDSMNOBMZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-17(13(2)23-24-19(12)25)14-5-7-16(8-6-14)26-20-18-15(9-11-22-20)4-3-10-21-18/h3-13,17,23H,1-2H3,(H,24,25).
What are the key properties of 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one has a molecular weight of 348.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one is sourced from PubChem (CID 134814167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).