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

C21H20N4O3 — CID 134814165

IUPAC1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(Oc2nccc3cccnc23)ccc1C1C(C)C(=O)NC(=O)N1C
InChIInChI=1S/C21H20N4O3/c1-12-11-15(28-20-17-14(8-10-23-20)5-4-9-22-17)6-7-16(12)18-13(2)19(26)24-21(27)25(18)3/h4-11,13,18H,1-3H3,(H,24,26,27)
InChIKeyYKCRDQGXFGRCLP-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.59
Rot. Bonds3

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

1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 134814165) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione
PubChem CID134814165
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(Oc2nccc3cccnc23)ccc1C1C(C)C(=O)NC(=O)N1C
InChIInChI=1S/C21H20N4O3/c1-12-11-15(28-20-17-14(8-10-23-20)5-4-9-22-17)6-7-16(12)18-13(2)19(26)24-21(27)25(18)3/h4-11,13,18H,1-3H3,(H,24,26,27)
InChIKeyYKCRDQGXFGRCLP-UHFFFAOYSA-N
XLogP3.59
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione (CID 134814165) is 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione is Cc1cc(Oc2nccc3cccnc23)ccc1C1C(C)C(=O)NC(=O)N1C.
What is the InChIKey of 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is YKCRDQGXFGRCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-11-15(28-20-17-14(8-10-23-20)5-4-9-22-17)6-7-16(12)18-13(2)19(26)24-21(27)25(18)3/h4-11,13,18H,1-3H3,(H,24,26,27).
What are the key properties of 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione?
1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 376.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-yloxy)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 134814165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).