4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one

C21H22N4O2 — CID 134814166

IUPAC4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one
SMILESCc1cc(Oc2nccc3cccnc23)ccc1C1C(C)NNC(=O)C1C
InChIInChI=1S/C21H22N4O2/c1-12-11-16(27-21-19-15(8-10-23-21)5-4-9-22-19)6-7-17(12)18-13(2)20(26)25-24-14(18)3/h4-11,13-14,18,24H,1-3H3,(H,25,26)
InChIKeyYEHFOKLXSVJEQI-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.47
Rot. Bonds3

About 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one

4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one (PubChem CID 134814166) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one
PubChem CID134814166
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one
SMILESCc1cc(Oc2nccc3cccnc23)ccc1C1C(C)NNC(=O)C1C
InChIInChI=1S/C21H22N4O2/c1-12-11-16(27-21-19-15(8-10-23-21)5-4-9-22-19)6-7-17(12)18-13(2)20(26)25-24-14(18)3/h4-11,13-14,18,24H,1-3H3,(H,25,26)
InChIKeyYEHFOKLXSVJEQI-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one with MolForge

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Related Compounds

5-[4-[[3-(Difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-4,6-dimethyldiazinan-3-one
CID 112500044
US9540352, example 1
CID 134814165
US9540352, example 4
CID 134814167
US9540352, example 7
CID 134814169
US9540352, example 9
CID 134814171
4,6-Dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one
CID 145453059
US11479551, Example 4-62
CID 166175896
US11479551, Example 4-63
CID 166175898
US11479551, Example 7-1
CID 166175993
US11479551, Example 7-5
CID 166176001
US11479551, Example 4-121
CID 166176022
3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one
CID 167671446

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
The IUPAC name of 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one (CID 134814166) is 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one.
What is the SMILES notation for 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
The canonical SMILES for 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one is Cc1cc(Oc2nccc3cccnc23)ccc1C1C(C)NNC(=O)C1C.
What is the InChIKey of 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
The InChIKey is YEHFOKLXSVJEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12-11-16(27-21-19-15(8-10-23-21)5-4-9-22-19)6-7-17(12)18-13(2)20(26)25-24-14(18)3/h4-11,13-14,18,24H,1-3H3,(H,25,26).
What are the key properties of 4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one?
4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one has a molecular weight of 362.43 g/mol, XLogP of 3.47, 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-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]diazinan-3-one is sourced from PubChem (CID 134814166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).